UCSF

ZINC21805374

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.35 7.42 -34.95 2 3 0 49 326.223 6
Mid Mid (pH 6-8) 4.35 5.28 -5.99 2 3 0 41 326.223 6
Mid Mid (pH 6-8) 4.35 5.93 -38.44 1 3 -1 44 325.215 6
Mid Mid (pH 6-8) 4.35 6.76 -48.01 3 3 1 46 327.231 6

Activity (Go SEA)

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