UCSF

ZINC24536558

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 22 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) 1.33 4.18 -15.79 1 5 0 64 311.263 6
Lo Low (pH 4.5-6) 1.33 4.62 -51.28 2 5 1 65 312.271 6

Activity (Go SEA)

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