UCSF

ZINC62954161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.35 4.58 -6.63 3 5 0 75 262.357 3
Lo Low (pH 4.5-6) 1.35 4.91 -34.25 4 5 1 76 263.365 3
Lo Low (pH 4.5-6) 1.35 4.53 -35.29 4 5 1 76 263.365 3

Activity (Go SEA)

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