UCSF

ZINC14806341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 20 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) 1.28 0.1 -8.96 3 5 0 87 272.256 1
Hi High (pH 8-9.5) 1.28 0.8 -55.43 2 5 -1 90 271.248 1
Hi High (pH 8-9.5) 1.28 0.08 -52.33 2 5 -1 90 271.248 1

Activity (Go SEA)

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