UCSF

ZINC36154696

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 2.46 10 -41.97 2 2 1 16 293.434 3
Mid Mid (pH 6-8) 2.46 11.26 -126.07 3 2 2 21 294.442 3
Mid Mid (pH 6-8) 2.46 8.97 -44.12 2 2 1 20 293.434 3
Mid Mid (pH 6-8) 2.46 7.73 -4.44 1 2 0 15 292.426 3

Activity (Go SEA)

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