UCSF

ZINC02537553

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Other Names:

MFCD04969740

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 -1.85 -7.87 2 4 0 62 150.137 1
Lo Low (pH 4.5-6) 1.04 -1.08 -53.47 1 4 -1 65 149.129 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.