UCSF

ZINC34667918

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 3.07 7.42 -12.13 2 6 0 69 420.488 6
Mid Mid (pH 6-8) 3.07 9.65 -47.94 3 6 1 70 421.496 6
Lo Low (pH 4.5-6) 3.07 9.99 -109.22 4 6 2 71 422.504 6

Activity (Go SEA)

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