UCSF

ZINC04687586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 29 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) 2.30 9.54 -51.62 2 6 1 63 394.495 7
Mid Mid (pH 6-8) 2.30 7.26 -13.45 1 6 0 62 393.487 7

Activity (Go SEA)

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