UCSF

ZINC04593274

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 5.79 12.95 -11.25 1 4 0 47 384.479 7
Mid Mid (pH 6-8) 5.79 13.42 -30.84 2 4 1 48 385.487 7

Activity (Go SEA)

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