UCSF

ZINC42558529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 4.01 9.86 -30.7 1 2 1 22 286.848 6
Hi High (pH 8-9.5) 4.01 8.17 -4.14 0 2 0 20 285.84 6

Activity (Go SEA)

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