UCSF

ZINC09727018

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 29 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) 4.13 -0.21 -19.05 1 6 0 60 408.889 7
Mid Mid (pH 6-8) 4.13 -0.01 -37.94 2 6 1 61 409.897 7

Activity (Go SEA)

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