UCSF

ZINC44679503

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.00 5.67 -32.32 4 3 1 42 260.405 6
Hi High (pH 8-9.5) 0.00 6.86 -112.52 5 3 2 47 261.413 6
Hi High (pH 8-9.5) 0.00 3.61 -46.51 4 3 1 43 260.405 6
Mid Mid (pH 6-8) 0.00 4.49 -39.24 4 3 1 46 260.405 6
Lo Low (pH 4.5-6) 0.00 6.01 -94.56 5 3 2 44 261.413 6
Lo Low (pH 4.5-6) 0.00 7.21 -216.14 6 3 3 49 262.421 6

Activity (Go SEA)

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