UCSF

ZINC34938979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.89 3.43 -48.23 2 5 -1 87 310.786 3
Mid Mid (pH 6-8) 2.89 3.87 -11.7 3 5 0 85 311.794 3

Activity (Go SEA)

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