UCSF

ZINC12415177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.07 -1.76 -29.13 1 8 0 95 396.428 5
Lo Low (pH 4.5-6) 2.07 -1.67 -52.84 2 8 1 97 397.436 5

Activity (Go SEA)

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