UCSF

ZINC34939514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 2.98 5.55 -41.8 2 2 1 40 181.303 3
Mid Mid (pH 6-8) 2.98 4.5 -4.23 1 2 0 36 180.295 3

Activity (Go SEA)

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