UCSF

ZINC34579991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 3.79 8.29 -54.16 2 3 1 37 328.263 2
Mid Mid (pH 6-8) 3.79 7.02 -8.65 1 3 0 32 327.255 2

Activity (Go SEA)

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