UCSF

ZINC37814710

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.83 3.7 -40.49 3 4 1 57 243.371 7
Hi High (pH 8-9.5) 0.83 3.41 -7.73 2 4 0 56 242.363 7

Activity (Go SEA)

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