UCSF

ZINC34684749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 2.18 8.89 -50.36 2 6 1 63 377.468 6
Mid Mid (pH 6-8) 2.18 6.66 -9.94 1 6 0 62 376.46 6
Lo Low (pH 4.5-6) 2.18 9.36 -98.37 3 6 2 64 378.476 6

Activity (Go SEA)

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