UCSF

ZINC15936954

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 No

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) 1.42 8.12 -20 1 9 0 120 442.478 6
Mid Mid (pH 6-8) 1.42 8.01 -121.19 3 9 2 123 444.494 6

Activity (Go SEA)

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