UCSF

ZINC15935698

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 2.82 7.62 -26.04 2 7 0 87 373.482 4
Hi High (pH 8-9.5) 3.01 5.93 -61.51 1 7 -1 94 372.474 4

Activity (Go SEA)

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