UCSF

ZINC20121873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 3.15 7.7 -36.19 2 2 1 16 253.797 3
Mid Mid (pH 6-8) 3.15 6.42 -42.97 2 2 1 20 253.797 3
Lo Low (pH 4.5-6) 3.15 8.84 -110.67 3 2 2 21 254.805 3

Activity (Go SEA)

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