UCSF

ZINC34663920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 17 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) 1.85 8.35 -46.61 2 3 1 34 230.335 4
Mid Mid (pH 6-8) 1.85 8.82 -79.81 3 3 2 36 231.343 4

Activity (Go SEA)

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