UCSF

ZINC01675116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 3.55 10.95 -38.81 1 1 1 4 226.343 5
Mid Mid (pH 6-8) 3.55 8.54 -2.84 0 1 0 3 225.335 5

Activity (Go SEA)

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