UCSF

ZINC44036013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 15 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) 1.92 7.66 -91.19 3 3 2 36 211.353 7
Hi High (pH 8-9.5) 1.92 7.32 -48.5 2 3 1 34 210.345 7

Activity (Go SEA)

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