UCSF

ZINC08654032

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2007 31 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) 4.41 1.47 -16.16 0 7 0 82 435.505 6
Lo Low (pH 4.5-6) 4.41 1.57 -57.32 1 7 1 84 436.513 6

Activity (Go SEA)

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