UCSF

ZINC33700943

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 26 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) 6.12 9.31 -42.41 0 4 -1 57 407.298 5
Lo Low (pH 4.5-6) 6.12 9.24 -11.42 1 4 0 55 408.306 5

Activity (Go SEA)

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