UCSF

ZINC34698712

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 5.44 12.73 -14.22 0 4 0 36 471.62 7
Mid Mid (pH 6-8) 5.44 15.22 -65.26 1 4 1 38 472.628 7

Activity (Go SEA)

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