UCSF

ZINC45664493

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.64 1.35 -48.14 3 4 1 49 243.371 3
Lo Low (pH 4.5-6) 0.64 2.58 -131.96 4 4 2 51 244.379 3

Activity (Go SEA)

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