UCSF

ZINC37824011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.34 3.59 -43.93 2 5 1 53 263.365 4
Hi High (pH 8-9.5) -0.34 2.23 -9.53 1 5 0 48 262.357 4
Lo Low (pH 4.5-6) -0.34 4.05 -84.95 3 5 2 54 264.373 4

Activity (Go SEA)

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