UCSF

ZINC12526888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 3.30 6.66 -10.55 1 3 0 42 254.333 2
Mid Mid (pH 6-8) 3.36 5.18 -6.25 1 3 0 45 254.333 2
Lo Low (pH 4.5-6) 3.30 6.95 -34.25 2 3 1 43 255.341 2

Activity (Go SEA)

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