UCSF

ZINC13691295

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 1.18 -1.36 -27.7 3 10 0 161 473.554 5
Hi High (pH 8-9.5) 1.18 -1.26 -57.1 2 10 -1 163 472.546 5

Activity (Go SEA)

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