UCSF

ZINC21510992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 3.68 5.68 -35.73 3 3 1 37 306.257 6
Hi High (pH 8-9.5) 3.68 6.49 -51.69 2 3 0 40 305.249 6
Mid Mid (pH 6-8) 3.68 7.12 -100.82 4 3 2 41 307.265 6

Activity (Go SEA)

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