UCSF

ZINC32758865

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 31 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) 1.88 5.77 -48.96 3 7 1 83 443.593 9
Mid Mid (pH 6-8) 1.88 3.51 -14.37 2 7 0 82 442.585 9
Mid Mid (pH 6-8) 1.88 5.78 -53.25 3 7 1 83 443.593 9

Activity (Go SEA)

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