UCSF

ZINC04158016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 22 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) 5.95 -0.23 -7.75 1 3 0 29 299.462 6
Mid Mid (pH 6-8) 5.95 -0.03 -23.59 2 3 1 30 300.47 6

Activity (Go SEA)

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