UCSF

ZINC34338919

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 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) 1.52 9.44 -47.54 2 5 1 51 301.414 8
Mid Mid (pH 6-8) 1.52 9.96 -84.33 3 5 2 53 302.422 8

Activity (Go SEA)

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