UCSF

ZINC44686431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.65 8.98 -34.39 2 2 1 16 357.259 4
Hi High (pH 8-9.5) 3.65 6.63 -1.97 1 2 0 15 356.251 4
Lo Low (pH 4.5-6) 3.65 7.57 -42.23 2 2 1 20 357.259 4

Activity (Go SEA)

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