UCSF

ZINC37049518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.71 5.49 -108.84 4 3 2 35 281.419 6
Hi High (pH 8-9.5) 1.71 3.37 -3.2 2 3 0 32 279.403 6
Mid Mid (pH 6-8) 1.71 5.99 -101.91 4 3 2 35 281.419 6
Mid Mid (pH 6-8) 1.71 3.74 -45.68 3 3 1 34 280.411 6

Activity (Go SEA)

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