UCSF

ZINC19855384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.13 8.82 -16.68 1 6 0 59 378.476 6
Mid Mid (pH 6-8) 4.13 11.13 -57.14 2 6 1 61 379.484 6
Mid Mid (pH 6-8) 4.13 9.23 -38.1 2 6 1 61 379.484 6
Lo Low (pH 4.5-6) 4.13 11.54 -119.99 3 6 2 62 380.492 6

Activity (Go SEA)

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