UCSF

ZINC02839706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 26 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) 4.31 8.95 -11.51 1 4 0 51 348.446 6
Mid Mid (pH 6-8) 4.38 7.44 -9.65 1 4 0 55 348.446 6

Activity (Go SEA)

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