UCSF

ZINC15936310

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 25 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) 1.71 6.85 -16.96 0 7 0 63 339.399 3
Mid Mid (pH 6-8) 1.71 9.2 -51.43 1 7 1 64 340.407 3

Activity (Go SEA)

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