UCSF

ZINC35486039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 5.64 11.97 -10.7 0 7 0 72 525.045 10
Mid Mid (pH 6-8) 5.64 14.23 -46.94 1 7 1 73 526.053 10

Activity (Go SEA)

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