UCSF

ZINC32131472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 27 No

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) 1.91 7.4 -57.73 1 9 -1 133 368.325 5
Hi High (pH 8-9.5) 2.37 5.72 -104.49 0 9 -2 136 367.317 5
Mid Mid (pH 6-8) 1.91 6.39 -16.03 2 9 0 130 369.333 5

Activity (Go SEA)

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