UCSF

ZINC33130319

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 35 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) 4.90 9.06 -21.68 2 7 0 94 486.549 6
Mid Mid (pH 6-8) 4.90 9.13 -48.68 1 7 -1 96 485.541 6

Activity (Go SEA)

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