UCSF

ZINC33045208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 33 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) 2.90 7.9 -49.17 2 7 1 66 465.647 7
Mid Mid (pH 6-8) 2.90 7.84 -51.24 2 7 1 66 465.647 7
Mid Mid (pH 6-8) 2.90 5.52 -15.12 1 7 0 65 464.639 7

Activity (Go SEA)

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