UCSF

ZINC13589775

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 17 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) 3.74 5.73 -9.52 2 3 0 49 227.263 2
Hi High (pH 8-9.5) 3.74 6.58 -59.05 1 3 -1 52 226.255 2

Activity (Go SEA)

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