UCSF

ZINC35121596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 Yes

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) 1.32 4.01 -6.42 1 3 0 38 202.257 5
Lo Low (pH 4.5-6) 1.32 5.36 -47.55 2 3 1 43 203.265 5

Activity (Go SEA)

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