UCSF

ZINC36749108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) 1.45 3.52 -23.94 4 4 1 57 197.306 3
Mid Mid (pH 6-8) 1.45 3.4 -4.87 3 4 0 56 196.298 3

Activity (Go SEA)

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