UCSF

ZINC37989222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 2.05 4.53 -47.59 3 5 1 64 325.186 4
Hi High (pH 8-9.5) 2.05 3.18 -7.75 2 5 0 59 324.178 4

Activity (Go SEA)

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