UCSF

ZINC34990954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.27 9.18 -49.02 2 3 1 34 230.335 6
Mid Mid (pH 6-8) 2.27 9.69 -86.67 3 3 2 36 231.343 6

Activity (Go SEA)

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