UCSF

ZINC19789454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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) 2.45 5.71 -35.56 2 4 1 37 337.459 5
Hi High (pH 8-9.5) 2.45 3.32 -5.84 1 4 0 36 336.451 5
Mid Mid (pH 6-8) 2.45 5.61 -37.6 2 4 1 37 337.459 5
Lo Low (pH 4.5-6) 2.45 7.8 -109.35 3 4 2 38 338.467 5

Activity (Go SEA)

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