UCSF

ZINC36732064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.78 5.07 -79.68 4 4 2 49 246.358 6
Hi High (pH 8-9.5) 0.78 4.62 -47 3 4 1 48 245.35 6
Lo Low (pH 4.5-6) 0.78 6.62 -103.88 4 4 2 49 246.358 6

Activity (Go SEA)

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