UCSF

ZINC19844148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 0.11 5.72 -36.19 4 5 1 81 256.333 5
Mid Mid (pH 6-8) 0.11 4.95 -11.87 3 5 0 79 255.325 5
Lo Low (pH 4.5-6) 0.11 6.11 -81.57 5 5 2 82 257.341 5

Activity (Go SEA)

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