UCSF

ZINC32224112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 14 No

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) 0.87 0.71 -9.75 2 4 0 75 190.154 0
Mid Mid (pH 6-8) 0.87 1.49 -43.71 1 4 -1 77 189.146 0

Activity (Go SEA)

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