UCSF

ZINC34294486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 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) -3.16 -4.39 -53.61 6 7 0 140 189.171 5
Hi High (pH 8-9.5) -3.16 -4.72 -43.66 5 7 -1 138 188.163 5

Activity (Go SEA)

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