UCSF

ZINC32015122

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) 2.54 4.7 -40.93 3 2 1 37 226.727 4
Hi High (pH 8-9.5) 2.54 3.28 -3.64 2 2 0 32 225.719 4

Activity (Go SEA)

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