UCSF

ZINC05045085

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 29 No

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) 2.15 4.97 -65.43 1 7 -1 99 396.419 7
Mid Mid (pH 6-8) 2.60 3.97 -31.38 2 7 0 96 397.427 6
Mid Mid (pH 6-8) 1.57 4.95 -26.6 1 7 0 93 397.427 7

Activity (Go SEA)

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