UCSF

ZINC37103167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.52 3.96 -39.82 3 5 1 72 280.344 6
Mid Mid (pH 6-8) 2.52 4.13 -8.45 2 5 0 68 279.336 6

Activity (Go SEA)

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