UCSF

ZINC43416576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.59 3.12 -51.96 4 4 1 68 251.35 6
Hi High (pH 8-9.5) 1.59 3.89 -75.51 3 4 0 71 250.342 6

Activity (Go SEA)

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