UCSF

ZINC25401351

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 28 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) 4.03 4.31 -24.11 4 6 0 99 376.412 4
Hi High (pH 8-9.5) 4.03 5.1 -52.89 3 6 -1 101 375.404 4

Activity (Go SEA)

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