UCSF

ZINC49091933

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 No

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) 0.05 0 -13.68 2 7 0 91 282.325 4
Hi High (pH 8-9.5) 0.23 -2.65 -46.06 1 7 -1 98 281.317 4

Activity (Go SEA)

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