UCSF

ZINC20478472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 3.04 5.43 -55.58 1 6 -1 82 343.164 3
Lo Low (pH 4.5-6) 3.04 5.56 -15.8 2 6 0 84 344.172 3

Activity (Go SEA)

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