UCSF

ZINC38149284

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 20 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) 3.64 6.03 -36.04 2 3 1 28 285.496 9
Hi High (pH 8-9.5) 3.64 4.3 -2.42 1 3 0 27 284.488 9
Hi High (pH 8-9.5) 3.64 6.26 -33.16 2 3 1 28 285.496 9
Lo Low (pH 4.5-6) 3.64 8.23 -116.31 3 3 2 29 286.504 9

Activity (Go SEA)

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