UCSF

ZINC34628488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 No

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) 0.65 11.27 -65.7 0 6 -1 75 405.471 6
Mid Mid (pH 6-8) 0.65 9.28 -14.66 1 6 0 72 406.479 6
Lo Low (pH 4.5-6) -2.10 8.14 -28.83 1 6 0 78 406.479 5

Activity (Go SEA)

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