UCSF

ZINC19460997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 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) 3.01 10 -51.63 2 5 1 53 421.609 6
Mid Mid (pH 6-8) 3.01 11.22 -47.31 2 5 1 50 421.609 6

Activity (Go SEA)

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