UCSF

ZINC06787864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 4.30 1 -39.89 2 2 1 25 345.26 6
Mid Mid (pH 6-8) 4.98 12.26 -6.96 0 2 0 8 352.428 3
Mid Mid (pH 6-8) 4.98 13.86 -43.2 1 2 1 9 353.436 3

Activity (Go SEA)

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