UCSF

ZINC08672622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2007 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) 2.05 5.47 -8.17 1 5 0 60 251.311 6
Hi High (pH 8-9.5) 2.05 5.27 -39.74 0 5 -1 58 250.303 6

Activity (Go SEA)

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