UCSF

ZINC40860295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) -1.71 -3.15 -15.15 1 9 0 93 341.459 4
Mid Mid (pH 6-8) -1.71 -1.93 -64.43 2 9 1 98 342.467 4

Activity (Go SEA)

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