UCSF

ZINC36771283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.83 6.48 -42.6 1 3 1 41 204.297 5
Mid Mid (pH 6-8) 0.83 4.57 -8.6 0 3 0 40 203.289 5
Lo Low (pH 4.5-6) 0.83 5.03 -33.08 1 3 1 41 204.297 5

Activity (Go SEA)

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