UCSF

ZINC46543013

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 25 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) 3.13 3.41 -46.07 1 6 -1 94 379.483 8
Mid Mid (pH 6-8) 3.13 3.3 -14.66 2 6 0 92 380.491 8

Activity (Go SEA)

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