UCSF

ZINC20637957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 22 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) 2.11 8.88 -34.65 2 4 1 46 293.394 3
Mid Mid (pH 6-8) 2.11 6.59 -10.22 1 4 0 45 292.386 3
Lo Low (pH 4.5-6) 2.11 9.32 -81.28 3 4 2 47 294.402 3

Activity (Go SEA)

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