UCSF

ZINC48420411

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 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) 0.00 -2.29 -15.27 3 7 0 96 290.389 4
Hi High (pH 8-9.5) 0.00 -1.8 -45.88 2 7 -1 93 289.381 4
Mid Mid (pH 6-8) 0.00 -0.13 -52.7 4 7 1 97 291.397 4

Activity (Go SEA)

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