UCSF

ZINC37999979

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) 1.30 5.21 -51.23 2 5 1 61 266.317 6
Hi High (pH 8-9.5) 1.30 3.85 -7.8 1 5 0 57 265.309 6

Activity (Go SEA)

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