UCSF

ZINC13469199

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 32 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) 4.22 11.55 -12.32 1 6 0 61 441.457 5
Mid Mid (pH 6-8) 4.22 11.9 -41.27 2 6 1 63 442.465 5

Activity (Go SEA)

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