UCSF

ZINC00428273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.02 2.88 -10.43 1 5 0 68 278.333 5
Hi High (pH 8-9.5) 2.02 2.95 -45 0 5 -1 70 277.325 5
Lo Low (pH 4.5-6) 2.02 3.16 -39.44 2 5 1 70 279.341 5

Activity (Go SEA)

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