UCSF

ZINC17720058

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 30 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) 2.97 8.17 -61.99 0 6 -1 79 410.421 6
Mid Mid (pH 6-8) 2.97 7.98 -13.18 1 6 0 76 411.429 6
Mid Mid (pH 6-8) 2.39 8.3 -14.41 0 6 0 73 411.429 6

Activity (Go SEA)

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