UCSF

ZINC36732155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.60 4.78 -86.71 4 3 2 35 243.439 9
Hi High (pH 8-9.5) 1.60 2.68 -44.07 3 3 1 34 242.431 9
Lo Low (pH 4.5-6) 1.60 6.85 -192.5 5 3 3 37 244.447 9

Activity (Go SEA)

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