UCSF

ZINC08705496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 23 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) 3.05 -0.68 -8.69 1 6 0 72 312.373 4
Mid Mid (pH 6-8) 3.05 -0.43 -34.75 2 6 1 73 313.381 4

Activity (Go SEA)

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