UCSF

ZINC32127701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 0.67 -1.23 -8.39 3 6 0 71 281.356 6
Mid Mid (pH 6-8) 0.67 1.15 -36.79 4 6 1 72 282.364 6

Activity (Go SEA)

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