UCSF

ZINC37760692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 17 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) 2.37 3.87 -9.11 2 4 0 62 234.299 3
Hi High (pH 8-9.5) 2.37 5.35 -39.45 2 4 0 66 234.299 3
Mid Mid (pH 6-8) 2.37 4.87 -50.45 1 4 -1 65 233.291 3
Lo Low (pH 4.5-6) 2.37 4.35 -40.87 3 4 1 63 235.307 3

Activity (Go SEA)

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