UCSF

ZINC04006659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 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) 0.88 6.21 -10.24 2 9 0 96 310.358 5
Mid Mid (pH 6-8) 0.88 6.48 -28.1 3 9 1 97 311.366 5

Activity (Go SEA)

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