UCSF

ZINC43425105

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.29 4.64 -48.07 3 3 1 40 289.443 4
Hi High (pH 8-9.5) 1.29 5.41 -2.34 2 3 0 38 288.435 4
Lo Low (pH 4.5-6) 1.29 6.59 -114.74 4 3 2 41 290.451 4

Activity (Go SEA)

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