UCSF

ZINC41681503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.67 7.52 -69.19 2 5 0 69 285.775 7
Hi High (pH 8-9.5) 2.67 5.26 -52.56 1 5 -1 68 284.767 7

Activity (Go SEA)

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