UCSF

ZINC37045409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) 1.98 2.62 -48.77 4 3 1 57 311.53 2
Hi High (pH 8-9.5) 1.98 2.21 -5.78 3 3 0 55 310.522 2

Activity (Go SEA)

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