UCSF

ZINC36989316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 5.56 6.45 -4.65 2 3 0 41 391.092 5
Hi High (pH 8-9.5) 5.56 7.2 -33.97 1 3 -1 44 390.084 5

Activity (Go SEA)

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