UCSF

ZINC05043587

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 21 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) 1.57 -2.91 -46.29 2 5 -1 81 293.387 4
Mid Mid (pH 6-8) 1.12 3.03 -57.81 1 9 -1 117 421.433 4

Activity (Go SEA)

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