UCSF

ZINC12449504

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 28 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) 1.88 8.92 -18.33 0 6 0 63 381.476 7
Lo Low (pH 4.5-6) 1.88 9.28 -43.28 1 6 1 64 382.484 7

Activity (Go SEA)

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