UCSF

ZINC32123575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.25 4.81 -55.7 2 5 -1 88 277.325 4
Mid Mid (pH 6-8) 2.25 5.2 -55.52 3 5 0 90 278.333 4

Activity (Go SEA)

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