UCSF

ZINC20437978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 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) 4.70 10.74 -42.91 2 4 1 55 364.465 3
Hi High (pH 8-9.5) 4.70 11.31 -30.94 1 4 0 58 363.457 3

Activity (Go SEA)

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