UCSF

ZINC36769685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.64 5.75 -2.6 2 3 0 38 288.435 3
Mid Mid (pH 6-8) 2.65 7.96 -131.6 4 3 2 41 290.451 3
Lo Low (pH 4.5-6) 2.64 7.71 -35.61 3 3 1 40 289.443 3

Activity (Go SEA)

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