UCSF

ZINC34985391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 5.07 10.37 -32.12 2 3 1 43 300.385 2
Mid Mid (pH 6-8) 5.07 9.97 -9.68 1 3 0 42 299.377 2
Lo Low (pH 4.5-6) 5.07 10.43 -37.38 2 3 1 43 300.385 2

Activity (Go SEA)

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