UCSF

ZINC44881037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 2.96 5.51 -11.25 2 4 0 62 264.284 2
Hi High (pH 8-9.5) 2.96 6.99 -41.69 2 4 0 66 264.284 2
Mid Mid (pH 6-8) 2.96 6.52 -52.67 1 4 -1 65 263.276 2
Lo Low (pH 4.5-6) 2.96 5.98 -44.39 3 4 1 63 265.292 2

Activity (Go SEA)

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