UCSF

ZINC36532633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 13 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) -0.02 0.47 -43.15 3 3 1 40 185.291 1
Mid Mid (pH 6-8) -0.02 2.72 -102.26 4 3 2 41 186.299 1

Activity (Go SEA)

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