UCSF

ZINC44609241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.31 4.19 -31.72 2 3 1 33 240.396 4
Mid Mid (pH 6-8) 1.31 6.16 -109.25 3 3 2 34 241.404 4

Activity (Go SEA)

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