UCSF

ZINC23283143

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 1.10 4.7 -43.62 1 5 1 37 256.37 3
Hi High (pH 8-9.5) 1.10 4.89 -41.68 1 5 1 37 256.37 3
Mid Mid (pH 6-8) 1.10 2.47 -5.7 0 5 0 36 255.362 3
Lo Low (pH 4.5-6) 1.10 7.14 -109.25 2 5 2 38 257.378 3

Activity (Go SEA)

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