UCSF

ZINC32162381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 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) 2.38 5.16 -4.29 0 1 0 13 135.21 1
Mid Mid (pH 6-8) 2.38 5.58 -26.91 1 1 1 14 136.218 1

Activity (Go SEA)

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