UCSF

ZINC53157682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 2.08 5.73 -7.45 0 2 0 20 241.693 2
Mid Mid (pH 6-8) 2.08 7.94 -53.38 1 2 1 22 242.701 2

Activity (Go SEA)

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