UCSF

ZINC32582074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 26 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) 3.34 12.64 -128.37 2 6 1 75 349.414 3
Mid Mid (pH 6-8) 3.34 7.73 -51.67 0 6 -1 72 347.398 3
Lo Low (pH 4.5-6) 3.34 10.63 -122.21 2 6 1 75 349.414 3

Activity (Go SEA)

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