UCSF

ZINC15772432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 22 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) 1.44 6.2 -81.34 4 6 2 67 316.49 11
Hi High (pH 8-9.5) 1.44 3.21 -42.67 3 6 1 66 315.482 11
Hi High (pH 8-9.5) 1.44 3.88 -41.04 3 6 1 66 315.482 11
Hi High (pH 8-9.5) 1.44 1.98 -11.18 2 6 0 65 314.474 11

Activity (Go SEA)

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