UCSF

ZINC32015605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -0.25 2.43 -45.93 3 4 1 57 229.325 6
Mid Mid (pH 6-8) -0.25 2.04 -11.92 2 4 0 56 228.317 6

Activity (Go SEA)

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