UCSF

ZINC43425229

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) 0.72 4.06 -46.84 3 4 1 49 291.415 4
Hi High (pH 8-9.5) 0.72 3.63 -4.77 2 4 0 48 290.407 4
Lo Low (pH 4.5-6) 0.72 5.93 -134.3 4 4 2 51 292.423 4

Activity (Go SEA)

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