UCSF

ZINC19636739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 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) 2.97 7.72 -33.44 1 3 1 11 304.502 8
Hi High (pH 8-9.5) 2.97 7.97 -39.39 1 3 1 11 304.502 8
Lo Low (pH 4.5-6) 2.97 12.44 -196.46 3 3 3 13 306.518 8

Activity (Go SEA)

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