UCSF

ZINC19364556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 12 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) 0.41 2.32 -37.08 2 3 1 28 173.28 2
Mid Mid (pH 6-8) 0.41 -0.15 -3.08 1 3 0 27 172.272 2
Lo Low (pH 4.5-6) 0.41 1.61 -34.42 2 3 1 28 173.28 2

Activity (Go SEA)

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