UCSF

ZINC34689359

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 20 No

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) 1.28 4.45 -40.76 2 4 1 40 292.428 2
Mid Mid (pH 6-8) 1.28 3.3 -8.59 1 4 0 36 291.42 2
Mid Mid (pH 6-8) 1.28 6.79 -104.88 3 4 2 41 293.436 2
Mid Mid (pH 6-8) 1.28 5.66 -51.47 2 4 1 37 292.428 2

Activity (Go SEA)

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