UCSF

ZINC16291610

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 30 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) 8.13 15.34 -11.08 0 3 0 34 453.394 3
Lo Low (pH 4.5-6) 8.13 15.68 -23.17 1 3 1 36 454.402 3
Lo Low (pH 4.5-6) 8.13 14.44 -24.36 1 3 1 36 454.402 3

Activity (Go SEA)

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