UCSF

ZINC37042297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -2.22 -1.86 -93.42 7 6 2 104 230.312 4
Hi High (pH 8-9.5) -2.22 -2.18 -43.7 6 6 1 103 229.304 4

Activity (Go SEA)

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