UCSF

ZINC39311568

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 2.80 11.34 -27.17 3 7 0 91 334.383 5
Mid Mid (pH 6-8) 2.80 11.96 -32.94 4 7 1 92 335.391 5
Mid Mid (pH 6-8) 2.80 11.96 -33 4 7 1 92 335.391 5
Lo Low (pH 4.5-6) 2.80 12.23 -84.82 5 7 2 93 336.399 5

Activity (Go SEA)

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