UCSF

ZINC35275021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) -0.89 0.75 -29.12 3 6 0 91 223.232 5
Hi High (pH 8-9.5) -0.89 1.96 -69.79 2 6 -1 94 222.224 5
Lo Low (pH 4.5-6) -0.89 1.1 -54.43 4 6 1 93 224.24 5

Activity (Go SEA)

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