UCSF

ZINC15883288

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 33 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) 5.38 14.85 -13.28 0 5 0 55 443.591 5
Lo Low (pH 4.5-6) 5.38 15 -53.52 1 5 1 56 444.599 5

Activity (Go SEA)

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