UCSF

ZINC54127734

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) 2.90 5.39 -40.74 2 4 1 51 350.302 6
Hi High (pH 8-9.5) 2.90 2.95 -7.99 1 4 0 49 349.294 6

Activity (Go SEA)

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