UCSF

ZINC22873457

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 17 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) 0.43 4.33 -84.2 2 4 2 15 242.411 4
Hi High (pH 8-9.5) 0.43 -0.49 -2.48 0 4 0 13 240.395 4
Hi High (pH 8-9.5) 0.43 1.85 -35.78 1 4 1 14 241.403 4
Mid Mid (pH 6-8) 0.43 4.46 -77.54 2 4 2 15 242.411 4
Mid Mid (pH 6-8) 0.43 1.99 -34.33 1 4 1 14 241.403 4

Activity (Go SEA)

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