UCSF

ZINC34337302

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 20 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) -0.29 -5.65 -67.54 6 8 1 135 341.822 3
Mid Mid (pH 6-8) -0.29 -5.74 -52.35 5 8 0 137 340.814 3

Activity (Go SEA)

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