UCSF

ZINC45340281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 22 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) 2.24 11.81 -70.06 0 4 -1 62 292.314 4
Mid Mid (pH 6-8) 2.24 10.99 -29.26 1 4 0 65 293.322 4

Activity (Go SEA)

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