UCSF

ZINC20290303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 37 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) 1.93 6.81 -59.75 0 10 -1 118 507.519 8
Mid Mid (pH 6-8) 1.93 9.15 -79.05 1 10 0 119 508.527 8

Activity (Go SEA)

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