UCSF

ZINC37076541

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) 2.07 6.78 -6.19 1 4 0 51 290.388 7
Mid Mid (pH 6-8) 2.07 7.61 -35.21 2 4 1 56 291.396 7

Activity (Go SEA)

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