UCSF

ZINC42944209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 2.75 4.95 -42.05 3 2 1 31 253.797 4
Hi High (pH 8-9.5) 2.75 7.35 -31.88 3 2 1 30 253.797 4

Activity (Go SEA)

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