UCSF

ZINC54127441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 1.30 4.02 -77.75 2 6 0 91 286.353 7
Hi High (pH 8-9.5) 1.30 1.69 -52.22 1 6 -1 90 285.345 7

Activity (Go SEA)

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