UCSF

ZINC09339596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 31 No

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) 2.20 8.97 -71.08 1 8 0 96 428.485 9
Mid Mid (pH 6-8) 1.62 8.82 -51.34 1 8 1 90 429.493 9

Activity (Go SEA)

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