UCSF

ZINC08184590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 26 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) 4.15 8.63 -18.97 2 6 0 80 368.462 7
Hi High (pH 8-9.5) 4.15 8.46 -48.55 1 6 -1 78 367.454 7

Activity (Go SEA)

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