UCSF

ZINC37145629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 1.75 3.89 -7.84 0 3 0 36 208.305 1
Mid Mid (pH 6-8) 1.75 5.88 -42.14 1 3 1 37 209.313 1

Activity (Go SEA)

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