UCSF

ZINC44119342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 16 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) 0.67 4.8 -8.42 2 4 0 65 212.256 2
Lo Low (pH 4.5-6) 0.67 5.06 -29.62 3 4 1 66 213.264 2
Lo Low (pH 4.5-6) 0.67 5.26 -39.19 3 4 1 66 213.264 2

Activity (Go SEA)

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