UCSF

ZINC03377323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 21 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) 2.76 5.13 -9.65 2 5 0 63 303.387 4
Lo Low (pH 4.5-6) 2.76 5.49 -34.52 3 5 1 64 304.395 4
Lo Low (pH 4.5-6) 2.94 2.78 -30.46 3 5 1 68 304.395 4

Activity (Go SEA)

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