UCSF

ZINC32787967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 19 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) 1.36 7.54 -44.09 1 4 1 38 263.361 2
Mid Mid (pH 6-8) 1.36 5.34 -7.69 0 4 0 37 262.353 2

Activity (Go SEA)

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