UCSF

ZINC37040989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.78 0.4 -50.92 5 6 1 87 237.283 4
Hi High (pH 8-9.5) 0.78 -1.03 -17.6 4 6 0 82 236.275 4

Activity (Go SEA)

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