UCSF

ZINC04848445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 22 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) 4.27 7.7 -12.86 2 4 0 50 295.386 3
Mid Mid (pH 6-8) 4.27 8.2 -23.93 3 4 1 51 296.394 3

Activity (Go SEA)

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