UCSF

ZINC37988914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.19 7.99 -35.04 2 3 1 26 289.443 6
Mid Mid (pH 6-8) 2.19 6.94 -38 2 3 1 29 289.443 6
Mid Mid (pH 6-8) 2.19 9.17 -105.54 3 3 2 30 290.451 6

Activity (Go SEA)

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