UCSF

ZINC37204465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 2.09 4.58 -40.4 2 2 1 29 193.295 2
Hi High (pH 8-9.5) 2.09 3.14 -6.1 1 2 0 25 192.287 2

Activity (Go SEA)

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