UCSF

ZINC00120630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 13 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) 0.65 2.4 -40.62 0 5 -1 66 192.227 3
Lo Low (pH 4.5-6) 0.65 2.68 -46.15 1 5 0 67 193.235 3

Activity (Go SEA)

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

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