UCSF

ZINC04124490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 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) 2.84 6.43 -13.74 1 7 0 95 395.458 6
Mid Mid (pH 6-8) 3.30 5.31 -41.49 0 7 -1 98 394.45 6

Activity (Go SEA)

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