UCSF

ZINC38103840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 20 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) 3.06 3.3 -40.14 0 5 -1 70 311.77 5
Lo Low (pH 4.5-6) 3.06 3.29 -9.4 1 5 0 68 312.778 5

Activity (Go SEA)

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