UCSF

ZINC01305484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 21 No

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) 2.89 8.6 -15.62 0 6 0 69 299.721 2
Mid Mid (pH 6-8) 2.89 8.93 -43.98 1 6 1 71 300.729 2

Activity (Go SEA)

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