UCSF

ZINC72309166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2012 30 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) 1.33 9.24 -93.26 2 8 2 68 428.618 13
Hi High (pH 8-9.5) 1.33 6.98 -48.43 1 8 1 67 427.61 13

Activity (Go SEA)

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