UCSF

ZINC37106566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.96 10.04 -79.06 3 4 2 36 278.444 5
Mid Mid (pH 6-8) 1.96 8.99 -36.81 2 4 1 34 277.436 5
Lo Low (pH 4.5-6) 1.96 10.94 -186.12 4 4 3 40 279.452 5
Lo Low (pH 4.5-6) 1.96 8.71 -101.9 3 4 2 39 278.444 5

Activity (Go SEA)

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