UCSF

ZINC31904085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.25 10.04 -21.72 0 7 0 72 442.471 3
Mid Mid (pH 6-8) 3.25 12.32 -63.56 1 7 1 73 443.479 3

Activity (Go SEA)

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