UCSF

ZINC42781712

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.52 2.59 -36.23 3 3 1 40 217.377 8
Mid Mid (pH 6-8) 1.52 4.18 -29.55 3 3 1 40 217.377 8

Activity (Go SEA)

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