UCSF

ZINC13661197

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 3.87 7.52 -11.7 1 3 0 50 252.269 1
Ref Reference (pH 7) 3.87 7.65 -17.64 1 3 0 50 252.269 1
Hi High (pH 8-9.5) 3.87 8.5 -57.99 0 3 -1 53 251.261 1
Hi High (pH 8-9.5) 3.87 8.63 -56.88 0 3 -1 53 251.261 1

Activity (Go SEA)

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