UCSF

ZINC19430210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.53 2.23 -57.18 5 5 1 86 273.312 4
Hi High (pH 8-9.5) 2.53 3.25 -91.08 4 5 0 89 272.304 4

Activity (Go SEA)

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