UCSF

ZINC31903306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 5.30 12.75 -10.54 0 3 0 27 322.452 8
Mid Mid (pH 6-8) 5.30 13.15 -30.47 1 3 1 28 323.46 8

Activity (Go SEA)

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