UCSF

ZINC36864839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.14 0.47 -48.5 4 5 1 74 197.262 4
Hi High (pH 8-9.5) -0.14 -0.89 -12.82 3 5 0 70 196.254 4

Activity (Go SEA)

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