UCSF

ZINC00929482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 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) 3.76 4.22 -10.32 1 5 0 68 359.476 6
Lo Low (pH 4.5-6) 3.34 7.72 -12 3 4 0 68 341.461 5
Lo Low (pH 4.5-6) 3.52 6.28 -43.42 2 4 -1 74 340.453 5

Activity (Go SEA)

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