UCSF

ZINC36969540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) -3.26 -0.57 -72.13 2 9 -1 143 288.261 3
Mid Mid (pH 6-8) -2.80 -2.28 -98.39 1 9 -2 146 287.253 3
Mid Mid (pH 6-8) -2.80 -3.15 -128.4 1 9 -2 146 287.253 3

Activity (Go SEA)

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