UCSF

ZINC37180660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 11 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) 0.40 2.04 -41.43 3 3 1 46 157.237 4
Hi High (pH 8-9.5) 0.40 0.68 -7.45 2 3 0 41 156.229 4

Activity (Go SEA)

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