UCSF

ZINC36995206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.59 5.91 -38.15 3 4 1 55 260.361 6
Hi High (pH 8-9.5) 1.59 4.98 -6.86 2 4 0 50 259.353 6
Hi High (pH 8-9.5) 1.59 4.96 -5.65 2 4 0 50 259.353 6
Mid Mid (pH 6-8) 1.59 5.88 -37.48 3 4 1 55 260.361 6

Activity (Go SEA)

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