UCSF

ZINC44651586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.32 4.28 -47.79 3 4 1 59 226.325 4
Hi High (pH 8-9.5) 1.88 2.14 -8.48 2 4 0 57 225.317 3
Mid Mid (pH 6-8) 1.14 3.02 -41.95 2 4 0 65 225.317 4

Activity (Go SEA)

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