UCSF

ZINC19877250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 3.35 11.04 -84.69 2 3 2 12 317.521 6
Hi High (pH 8-9.5) 3.35 8.73 -39.13 1 3 1 11 316.513 6
Lo Low (pH 4.5-6) 3.35 10.99 -106 2 3 2 12 317.521 6

Activity (Go SEA)

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