UCSF

ZINC21001515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 2.47 5.6 -22.91 2 7 0 101 388.474 5
Hi High (pH 8-9.5) 2.54 4.7 -51.57 1 7 -1 107 387.466 5
Hi High (pH 8-9.5) 2.54 4.77 -99.21 0 7 -2 109 386.458 5
Mid Mid (pH 6-8) 2.47 5.67 -49.08 1 7 -1 103 387.466 5

Activity (Go SEA)

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