UCSF

ZINC34940968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 No

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) 2.38 4.79 -63.84 1 9 -1 112 495.552 10
Mid Mid (pH 6-8) 2.38 7.07 -75.9 2 9 0 113 496.56 10
Lo Low (pH 4.5-6) 2.38 6.31 -57.68 3 9 1 110 497.568 10

Activity (Go SEA)

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