UCSF

ZINC41702566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 1.79 5.85 -51.65 2 4 0 57 307.213 6
Hi High (pH 8-9.5) 1.79 4.42 -29.05 2 4 0 60 307.213 6
Hi High (pH 8-9.5) 1.79 3.35 -45.26 1 4 -1 55 306.205 6
Lo Low (pH 4.5-6) 1.79 6.97 -75.51 3 4 1 61 308.221 6

Activity (Go SEA)

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