UCSF

ZINC08744137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 32 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) 3.85 11.79 -72.96 1 6 0 74 436.552 9
Mid Mid (pH 6-8) 4.30 12.19 -42.98 2 6 1 71 437.56 8

Activity (Go SEA)

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