UCSF

ZINC02419530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 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) 6.01 13.73 -13.83 0 5 0 56 420.303 3
Mid Mid (pH 6-8) 6.02 14.86 -31.43 2 5 1 60 421.311 3

Activity (Go SEA)

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