UCSF

ZINC14530634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 30 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) 2.72 8.86 -12.6 2 8 0 94 410.474 8
Lo Low (pH 4.5-6) 2.72 9.12 -36.23 3 8 1 96 411.482 8

Activity (Go SEA)

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