UCSF

ZINC34831652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 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) 3.45 8.46 -10.04 1 7 0 72 427.508 6
Mid Mid (pH 6-8) 3.45 10.73 -44.64 2 7 1 73 428.516 6

Activity (Go SEA)

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