UCSF

ZINC34577330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 38 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) 3.45 16.98 -106.27 2 6 2 60 510.73 17
Hi High (pH 8-9.5) 3.45 12.71 -13.71 0 6 0 58 508.714 17
Hi High (pH 8-9.5) 3.45 14.87 -44.52 1 6 1 59 509.722 17
Lo Low (pH 4.5-6) 3.45 17.31 -187.12 3 6 3 62 511.738 17

Activity (Go SEA)

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