UCSF

ZINC44861942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 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) -0.28 -0.34 -48.34 5 6 1 92 217.293 6
Hi High (pH 8-9.5) -0.10 -2.18 -36.59 4 6 0 98 216.285 6

Activity (Go SEA)

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