UCSF

ZINC48183206

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2010 22 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) 1.69 6.82 -8.94 1 5 0 62 305.422 7
Lo Low (pH 4.5-6) 1.69 6.99 -39.61 2 5 1 64 306.43 7

Activity (Go SEA)

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