UCSF

ZINC36190287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 2.79 9.52 -57.32 1 4 0 48 266.316 3
Mid Mid (pH 6-8) 2.79 7.36 -49.52 0 4 -1 47 265.308 3

Activity (Go SEA)

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