UCSF

ZINC45687768

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.44 7.86 -40.02 2 4 1 52 266.361 9
Hi High (pH 8-9.5) 2.44 6.47 -6.7 1 4 0 48 265.353 9

Activity (Go SEA)

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