UCSF

ZINC37106931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.42 10.43 -36.1 2 3 1 34 264.437 7
Mid Mid (pH 6-8) 3.42 11.56 -99.62 3 3 2 36 265.445 7

Activity (Go SEA)

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