UCSF

ZINC42591187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.24 5.88 -39.6 3 4 1 57 257.398 6
Mid Mid (pH 6-8) 2.24 5.95 -6.98 2 4 0 56 256.39 6

Activity (Go SEA)

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