UCSF

ZINC37269079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) -1.12 -0.98 -43.48 5 5 1 91 202.278 5
Hi High (pH 8-9.5) -1.12 -1.26 -11.65 4 5 0 89 201.27 5

Activity (Go SEA)

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