UCSF

ZINC23457305

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2009 34 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) 4.22 10.22 -11.3 0 6 0 62 460.484 5
Mid Mid (pH 6-8) 4.22 12.48 -53.53 1 6 1 64 461.492 5

Activity (Go SEA)

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