UCSF

ZINC26476220

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 1.58 0.36 -8.74 2 4 0 73 185.186 1
Mid Mid (pH 6-8) 1.58 1.2 -53.35 1 4 -1 76 184.178 1

Activity (Go SEA)

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