UCSF

ZINC32928797

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.36 7.04 -42.82 2 5 1 60 285.408 8
Mid Mid (pH 6-8) 2.36 4.78 -10.02 1 5 0 59 284.4 8

Activity (Go SEA)

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