UCSF

ZINC03358121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 30 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) 4.88 13.84 -14.94 0 6 0 62 396.45 5
Mid Mid (pH 6-8) 4.88 14.35 -34.89 1 6 1 63 397.458 5
Lo Low (pH 4.5-6) 4.88 14.17 -40.06 1 6 1 63 397.458 5

Activity (Go SEA)

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