UCSF

ZINC34698720

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 5.89 13.4 -14.25 0 4 0 36 485.647 7
Mid Mid (pH 6-8) 5.89 15.89 -65.11 1 4 1 38 486.655 7

Activity (Go SEA)

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