UCSF

ZINC25147737

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 22 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) 1.39 4.3 -15.03 1 7 0 87 307.35 6
Mid Mid (pH 6-8) 1.39 6.58 -58.45 2 7 1 89 308.358 6

Activity (Go SEA)

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