UCSF

ZINC12006547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 34 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) 4.54 12.29 -47.98 1 8 -1 109 450.478 6
Mid Mid (pH 6-8) 4.08 13.76 -19.41 2 8 0 106 451.486 6
Mid Mid (pH 6-8) 4.08 14.09 -18.06 2 8 0 106 451.486 6

Activity (Go SEA)

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