UCSF

ZINC37184105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 0.71 2.23 -38.95 2 3 1 23 210.345 5
Hi High (pH 8-9.5) 0.71 3.51 -35.28 2 3 1 20 210.345 5
Hi High (pH 8-9.5) 0.71 1.04 -2.85 1 3 0 19 209.337 5
Mid Mid (pH 6-8) 0.71 4.72 -113.02 3 3 2 24 211.353 5

Activity (Go SEA)

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