UCSF

ZINC59905298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 26 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) 3.60 12.4 -27.21 2 3 0 57 345.442 7
Mid Mid (pH 6-8) 3.60 11.53 -49.44 1 3 -1 52 344.434 7

Activity (Go SEA)

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