UCSF

ZINC60177411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 34 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) 6.24 16.28 -38.8 1 4 1 26 457.638 4
Hi High (pH 8-9.5) 6.24 12.17 -6.64 0 4 0 25 456.63 4
Mid Mid (pH 6-8) 6.24 14.78 -41.66 1 4 1 26 457.638 4
Lo Low (pH 4.5-6) 6.24 16.43 -132.11 2 4 2 27 458.646 4

Activity (Go SEA)

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