UCSF

ZINC52334547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.95 5.9 -26.48 4 3 1 52 220.34 3
Mid Mid (pH 6-8) 2.95 5.55 -4.35 3 3 0 51 219.332 3

Activity (Go SEA)

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