UCSF

ZINC34601515

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 6.52 7.94 -5.65 2 2 0 40 310.437 3
Hi High (pH 8-9.5) 6.52 8.69 -47.65 1 2 -1 43 309.429 3

Activity (Go SEA)

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