UCSF

ZINC34018007

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 20 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) 1.00 7.46 -34.9 4 3 1 56 264.352 4
Hi High (pH 8-9.5) 1.00 6.84 -7.91 3 3 0 55 263.344 4
Mid Mid (pH 6-8) 1.00 7.15 -44.61 4 3 1 56 264.352 4
Lo Low (pH 4.5-6) 1.00 7.76 -121.96 5 3 2 58 265.36 4

Activity (Go SEA)

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