UCSF

ZINC37996835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.90 9.35 -40.76 2 2 1 26 355.683 5
Mid Mid (pH 6-8) 4.90 8.23 -3.94 1 2 0 21 354.675 5

Activity (Go SEA)

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