UCSF

ZINC37051419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.35 4.44 -37.97 2 3 1 34 180.275 2
Hi High (pH 8-9.5) 0.35 3.06 -5.35 1 3 0 30 179.267 2
Lo Low (pH 4.5-6) 0.35 4.61 -94.14 3 3 2 36 181.283 2

Activity (Go SEA)

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