UCSF

ZINC08836825

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 No

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) 4.66 9.53 -15.35 2 7 0 83 405.502 9
Lo Low (pH 4.5-6) 4.66 9.62 -34.08 3 7 0 84 406.51 9

Activity (Go SEA)

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