UCSF

ZINC37979008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 4.37 8.88 -47.76 2 2 1 26 312.767 5
Mid Mid (pH 6-8) 4.37 7.73 -5.13 1 2 0 21 311.759 5

Activity (Go SEA)

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