UCSF

ZINC40177831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.59 2.06 -13.87 1 9 0 103 520.007 8
Mid Mid (pH 6-8) 3.59 4.34 -53.84 2 9 1 104 521.015 8

Activity (Go SEA)

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