UCSF

ZINC37507196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 12 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) -1.86 -2.21 -43.15 5 5 1 91 174.224 4
Hi High (pH 8-9.5) -1.86 -2.5 -12.13 4 5 0 89 173.216 4

Activity (Go SEA)

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