UCSF

ZINC36129453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.59 2.14 -9.25 2 6 0 86 273.292 4
Hi High (pH 8-9.5) 1.05 0.34 -44.3 1 6 -1 89 272.284 4

Activity (Go SEA)

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