UCSF

ZINC32125559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.81 4.58 -34.01 2 4 1 37 279.404 6
Mid Mid (pH 6-8) 1.81 2.27 -5.66 1 4 0 36 278.396 6

Activity (Go SEA)

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