UCSF

ZINC37860297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) 3.60 8.13 -34.31 2 2 1 16 267.462 7
Mid Mid (pH 6-8) 3.60 9.48 -106.71 3 2 2 21 268.47 7

Activity (Go SEA)

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