UCSF

ZINC43985102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.62 4.88 -36.45 2 3 1 29 253.41 3
Mid Mid (pH 6-8) 2.62 6.7 -112.43 3 3 2 30 254.418 3

Activity (Go SEA)

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