UCSF

ZINC04577036

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 28 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) 5.31 12 -11.63 1 5 0 65 421.946 7
Hi High (pH 8-9.5) 5.50 10.15 -45.41 0 5 -1 71 420.938 7

Activity (Go SEA)

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