UCSF

ZINC19791733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.10 5.48 -35.03 2 6 1 65 330.408 7
Mid Mid (pH 6-8) 2.10 5.08 -8.1 1 6 0 64 329.4 7
Mid Mid (pH 6-8) 2.10 7.41 -42.15 2 6 1 65 330.408 7

Activity (Go SEA)

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