UCSF

ZINC37076513

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) 3.48 9.24 -29.42 2 3 1 43 310.464 7
Mid Mid (pH 6-8) 3.48 8.33 -5.71 1 3 0 38 309.456 7

Activity (Go SEA)

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