UCSF

ZINC45619386

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.72 6.99 -36.89 2 4 1 37 293.431 7
Mid Mid (pH 6-8) 2.72 4.78 -5.7 1 4 0 36 292.423 7

Activity (Go SEA)

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