UCSF

ZINC37787319

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.22 6.73 -5.04 1 3 0 30 221.348 4
Mid Mid (pH 6-8) 3.22 6.86 -23 2 3 1 31 222.356 4

Activity (Go SEA)

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