UCSF

ZINC11913522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 28 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) 3.78 -2.7 -47.81 3 4 1 59 381.471 5
Lo Low (pH 4.5-6) 3.78 -2.61 -106.18 4 4 2 60 382.479 5

Activity (Go SEA)

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