UCSF

ZINC44270368

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.52 1.86 -62.13 3 4 0 76 296.314 6
Mid Mid (pH 6-8) 1.52 1.82 -53.23 4 4 1 74 297.322 6

Activity (Go SEA)

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