UCSF

ZINC13692620

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 3.28 3.91 -18.67 1 7 0 101 473.37 4
Hi High (pH 8-9.5) 3.28 3.99 -52.84 0 7 -1 103 472.362 4

Activity (Go SEA)

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