UCSF

ZINC34936985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 2.02 6.82 -7.1 0 3 0 30 249.745 3
Mid Mid (pH 6-8) 2.02 9.05 -50.23 1 3 1 31 250.753 3

Activity (Go SEA)

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