UCSF

ZINC04638347

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 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) 2.45 9.2 -12.97 0 3 0 51 286.371 3
Mid Mid (pH 6-8) 3.20 9.14 -44.29 0 3 -1 57 285.363 3

Activity (Go SEA)

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