UCSF

ZINC44121341

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 2.85 4.97 -33.06 2 3 1 28 283.48 3
Lo Low (pH 4.5-6) 2.85 7.34 -101.43 3 3 2 29 284.488 3

Activity (Go SEA)

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