UCSF

ZINC44727271

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) -1.06 -1.26 -42.28 4 5 1 75 205.278 8
Hi High (pH 8-9.5) -1.06 -1.57 -8.44 3 5 0 74 204.27 8

Activity (Go SEA)

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