UCSF

ZINC37269062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 3.08 5.53 -40.43 2 3 1 35 280.722 8
Hi High (pH 8-9.5) 3.08 4.13 -5.05 1 3 0 30 279.714 8

Activity (Go SEA)

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