UCSF

ZINC20120692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.79 5.39 -3.22 1 3 0 24 290.451 6
Mid Mid (pH 6-8) 2.79 7.16 -38.92 2 3 1 29 291.459 6
Lo Low (pH 4.5-6) 2.79 7.8 -29.95 2 3 1 26 291.459 6
Lo Low (pH 4.5-6) 2.79 8.81 -114.95 3 3 2 30 292.467 6

Activity (Go SEA)

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