UCSF

ZINC37871084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.29 5.13 -41.83 2 2 1 40 153.249 3
Hi High (pH 8-9.5) 1.29 4.21 -7.1 1 2 0 36 152.241 3

Activity (Go SEA)

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