UCSF

ZINC19999845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.80 4.25 -3.98 1 3 0 24 302.34 6
Mid Mid (pH 6-8) 2.80 5.51 -49.64 2 3 1 29 303.348 6
Lo Low (pH 4.5-6) 2.80 6.58 -39.87 2 3 1 26 303.348 6

Activity (Go SEA)

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