UCSF

ZINC37220465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 4.07 7.95 -31.79 2 3 1 30 313.874 6
Hi High (pH 8-9.5) 4.07 6.02 -3.83 1 3 0 28 312.866 6
Mid Mid (pH 6-8) 4.07 7.03 -34.97 2 3 1 33 313.874 6
Lo Low (pH 4.5-6) 4.07 9.17 -107.24 3 3 2 34 314.882 6

Activity (Go SEA)

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