UCSF

ZINC51783259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 12 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) 0.56 0.8 -37.8 2 3 1 29 173.28 4
Hi High (pH 8-9.5) 0.56 -0.2 -1.56 1 3 0 24 172.272 4
Lo Low (pH 4.5-6) 0.56 2.98 -102.23 3 3 2 30 174.288 4
Lo Low (pH 4.5-6) 0.56 1.54 -29.56 2 3 1 26 173.28 4

Activity (Go SEA)

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