UCSF

ZINC45666044

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.44 6.98 -103.48 4 3 2 35 273.509 12
Hi High (pH 8-9.5) 3.44 4.5 -41.19 3 3 1 34 272.501 12
Lo Low (pH 4.5-6) 3.44 8.61 -221.25 5 3 3 37 274.517 12

Activity (Go SEA)

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