UCSF

ZINC45693446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 4.00 7.75 -33.33 2 2 1 16 320.32 7
Hi High (pH 8-9.5) 4.00 5.94 -1.2 1 2 0 15 319.312 7
Lo Low (pH 4.5-6) 4.00 9.06 -111.2 3 2 2 21 321.328 7

Activity (Go SEA)

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