UCSF

ZINC34666989

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 1.21 4.59 -31.84 2 5 1 38 292.403 4
Hi High (pH 8-9.5) 1.21 2.34 -5.22 1 5 0 37 291.395 4
Mid Mid (pH 6-8) 1.21 5.97 -100.4 3 5 2 43 293.411 4
Mid Mid (pH 6-8) 1.21 3.71 -42.57 2 5 1 42 292.403 4

Activity (Go SEA)

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