UCSF

ZINC35247249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 15 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) 2.30 4.53 -49.06 3 3 1 46 290.206 5
Mid Mid (pH 6-8) 2.30 3.18 -9.31 2 3 0 41 289.198 5

Activity (Go SEA)

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