UCSF

ZINC01817341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 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) 4.23 -0.91 -49.91 3 4 1 50 337.443 5

Activity (Go SEA)

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