UCSF

ZINC19919469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.88 4.9 -33.84 3 4 1 46 262.377 6
Mid Mid (pH 6-8) 1.88 3.64 -40.15 3 4 1 49 262.377 6
Mid Mid (pH 6-8) 1.88 5.95 -112.99 4 4 2 50 263.385 6
Mid Mid (pH 6-8) 1.88 2.35 -6.19 2 4 0 44 261.369 6

Activity (Go SEA)

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