UCSF

ZINC44085439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 22 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) 4.24 10.33 -7.57 0 3 0 27 310.422 5
Lo Low (pH 4.5-6) 4.24 10.82 -29.24 1 3 1 28 311.43 5

Activity (Go SEA)

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