UCSF

ZINC32129761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.83 2.14 -94.9 2 6 0 94 284.337 3
Mid Mid (pH 6-8) 0.83 0.77 -57.42 1 6 -1 90 283.329 3

Activity (Go SEA)

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