UCSF

ZINC20094158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.94 6.98 -36.98 2 3 1 29 256.373 6
Mid Mid (pH 6-8) 1.94 6.07 -38.91 2 3 1 33 256.373 6
Mid Mid (pH 6-8) 1.94 4.7 -4.57 1 3 0 28 255.365 6
Lo Low (pH 4.5-6) 1.94 7.65 -93.69 3 3 2 31 257.381 6

Activity (Go SEA)

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