UCSF

ZINC02315008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 27 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) 5.79 1.96 -11.28 0 3 0 53 398.959 6
Lo Low (pH 4.5-6) 5.79 2.07 -46.24 1 3 1 55 399.967 6

Activity (Go SEA)

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