UCSF

ZINC67725708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 21 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) 0.27 3.65 -51.01 2 5 1 67 310.443 4
Lo Low (pH 4.5-6) 0.27 4.11 -92.74 3 5 2 68 311.451 4

Activity (Go SEA)

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