UCSF

ZINC00972626

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 23 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) 1.06 7.8 -20.27 4 6 0 88 306.373 4
Mid Mid (pH 6-8) 1.06 8.29 -45.71 5 6 1 89 307.381 4
Lo Low (pH 4.5-6) 1.06 8.78 -87.16 6 6 2 90 308.389 4

Activity (Go SEA)

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