UCSF

ZINC45662478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.81 5.25 -42.6 3 3 1 40 297.488 4
Hi High (pH 8-9.5) 2.81 4.94 -2.78 2 3 0 38 296.48 4
Lo Low (pH 4.5-6) 2.81 7.5 -113.41 4 3 2 41 298.496 4

Activity (Go SEA)

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