UCSF

ZINC06238816

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 2.19 4.87 -61.84 1 7 -1 99 396.419 8
Mid Mid (pH 6-8) 1.60 -2.18 -15.1 1 7 0 93 397.427 8
Mid Mid (pH 6-8) 2.63 -0.65 -20.12 2 7 0 96 397.427 7

Activity (Go SEA)

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