UCSF

ZINC49558517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 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) 1.64 7.3 -40.1 2 4 1 42 223.344 6
Mid Mid (pH 6-8) 1.64 7.67 -80.99 3 4 2 43 224.352 6

Activity (Go SEA)

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