UCSF

ZINC44813389

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 20 No

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) 2.65 2.55 -12.17 2 6 0 103 271.276 3
Hi High (pH 8-9.5) 2.79 -0.07 -56.81 1 6 -1 106 270.268 3

Activity (Go SEA)

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