UCSF

ZINC37233744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.90 6.9 -37.61 2 3 1 29 282.477 6
Mid Mid (pH 6-8) 2.90 8.11 -111.31 3 3 2 34 283.485 6

Activity (Go SEA)

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