UCSF

ZINC43251986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 4.06 8.35 -46.85 3 2 1 31 307.87 4
Hi High (pH 8-9.5) 4.06 8.05 -2.88 2 2 0 29 306.862 4

Activity (Go SEA)

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