UCSF

ZINC45695031

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.08 10.58 -65.95 1 5 0 65 298.427 8
Lo Low (pH 4.5-6) 2.08 8.58 -41.45 2 5 1 62 299.435 8

Activity (Go SEA)

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