UCSF

ZINC52310437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 22 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) 1.58 9.27 -53.35 1 5 1 43 321.832 2
Mid Mid (pH 6-8) 1.58 7.35 -17.15 0 5 0 41 320.824 2

Activity (Go SEA)

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