UCSF

ZINC12007878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 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) 4.49 2.12 -13.83 2 8 0 106 431.496 7
Ref Reference (pH 7) 4.94 11.31 -46.84 1 8 -1 109 430.488 7
Mid Mid (pH 6-8) 4.49 12.94 -14.77 2 8 0 106 431.496 7

Activity (Go SEA)

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