UCSF

ZINC37817617

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.80 2.55 -45.12 5 5 1 91 331.223 6
Hi High (pH 8-9.5) 1.80 2.23 -9.63 4 5 0 89 330.215 6

Activity (Go SEA)

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