UCSF

ZINC32271002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 22 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) 5.31 12.11 -59.66 1 4 0 50 297.378 6
Mid Mid (pH 6-8) 5.31 12.02 -7.04 0 4 0 49 296.37 6

Activity (Go SEA)

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