UCSF

ZINC51396530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.24 6.8 -42.95 3 3 1 44 242.346 4
Hi High (pH 8-9.5) 2.24 6.4 -6.9 2 3 0 42 241.338 4
Lo Low (pH 4.5-6) 2.24 7.05 -106.05 4 3 2 45 243.354 4
Lo Low (pH 4.5-6) 2.24 6.66 -26.1 3 3 1 43 242.346 4

Activity (Go SEA)

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