UCSF

ZINC37856242

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.81 -0.54 -40.7 1 5 -1 82 348.223 3
Mid Mid (pH 6-8) 2.81 -0.35 -97.4 0 5 -2 84 347.215 3
Mid Mid (pH 6-8) 2.35 1.73 -9.89 2 5 0 79 349.231 3
Mid Mid (pH 6-8) 2.35 1.77 -38.04 1 5 -1 81 348.223 3

Activity (Go SEA)

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