UCSF

ZINC46834752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 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) 1.49 3.82 -52.22 3 6 -1 112 311.745 6
Lo Low (pH 4.5-6) 1.49 1.85 -17.85 4 6 0 109 312.753 6

Activity (Go SEA)

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