UCSF

ZINC31992821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 No

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) -0.31 1.73 -7.18 2 4 0 63 184.239 3
Mid Mid (pH 6-8) -0.31 2.05 -55.68 3 4 1 65 185.247 3

Activity (Go SEA)

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