UCSF

ZINC70613939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) 3.08 6.75 -38.87 1 2 1 22 184.303 3
Mid Mid (pH 6-8) 2.47 5.67 -24.68 1 2 0 27 183.295 2

Activity (Go SEA)

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