UCSF

ZINC20436743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 25 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) 1.53 6.74 -18.22 2 7 0 93 375.479 7
Hi High (pH 8-9.5) 1.71 5.67 -45.02 1 7 -1 99 374.471 7

Activity (Go SEA)

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