UCSF

ZINC22153045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 3.13 7.38 -35.35 2 3 1 29 263.192 6
Hi High (pH 8-9.5) 3.13 5.15 -2.67 1 3 0 28 262.184 6

Activity (Go SEA)

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