UCSF

ZINC60707219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 19 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) 5.16 10.81 -37.54 2 1 1 17 294.509 8
Hi High (pH 8-9.5) 5.16 9.54 -3.12 1 1 0 12 293.501 8

Activity (Go SEA)

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