UCSF

ZINC20872643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 3.06 7.5 -15.93 2 7 0 78 430.545 12
Mid Mid (pH 6-8) 3.06 8.92 -53.39 3 7 1 83 431.553 12

Activity (Go SEA)

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