UCSF

ZINC37246763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 0.43 3.57 -86 3 3 2 24 199.342 2
Mid Mid (pH 6-8) 0.43 1.31 -38.13 2 3 1 23 198.334 2

Activity (Go SEA)

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