UCSF

ZINC36170948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 0.00 5.21 -33.3 3 3 1 34 260.405 2
Hi High (pH 8-9.5) 0.00 3.04 -2.29 2 3 0 32 259.397 2
Hi High (pH 8-9.5) 0.00 3.3 -43.74 3 3 1 34 260.405 2
Mid Mid (pH 6-8) 0.00 5.24 -31.27 3 3 1 34 260.405 2
Mid Mid (pH 6-8) 0.00 5.49 -124.8 4 3 2 35 261.413 2
Lo Low (pH 4.5-6) 0.00 5.52 -102.54 4 3 2 35 261.413 2

Activity (Go SEA)

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