UCSF

ZINC49957049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 21 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) 3.01 10.45 -34.52 1 4 1 44 285.415 3
Mid Mid (pH 6-8) 3.01 8.24 -5.71 0 4 0 43 284.407 3

Activity (Go SEA)

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