UCSF

ZINC20411994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 30 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) 4.49 5.09 -14.94 1 7 0 91 424.478 6
Mid Mid (pH 6-8) 4.49 5.16 -45.76 0 7 -1 93 423.47 6

Activity (Go SEA)

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