UCSF

ZINC45704064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.67 2.89 -35.88 3 4 1 49 261.43 11
Mid Mid (pH 6-8) 1.67 4.92 -31.75 3 4 1 46 261.43 11
Lo Low (pH 4.5-6) 1.67 4.71 -111.25 4 4 2 51 262.438 11

Activity (Go SEA)

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