UCSF

ZINC49515940

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 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) 1.60 9.18 -40.61 1 3 1 25 271.384 1
Mid Mid (pH 6-8) 1.60 6.97 -8.05 0 3 0 24 270.376 1

Activity (Go SEA)

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