UCSF

ZINC08708778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 20 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) 2.05 -2.16 -10.26 2 4 0 60 287.388 5
Mid Mid (pH 6-8) 2.05 -1.95 -34.04 3 4 1 62 288.396 5

Activity (Go SEA)

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