UCSF

ZINC36877153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.35 4.76 -52.89 4 4 1 66 246.334 4
Hi High (pH 8-9.5) 0.35 3.73 -10.29 3 4 0 64 245.326 4
Lo Low (pH 4.5-6) 0.35 4.65 -116.1 5 4 2 67 247.342 4

Activity (Go SEA)

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