UCSF

ZINC01538516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 37 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) 5.91 1.62 -46.09 0 8 -1 92 513.025 11
Lo Low (pH 4.5-6) 5.91 1.68 -70.57 1 8 0 93 514.033 11

Activity (Go SEA)

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