UCSF

ZINC55291920

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 18 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) 2.91 7.74 -35.12 2 2 1 16 251.369 5
Mid Mid (pH 6-8) 2.91 6.7 -36.18 2 2 1 20 251.369 5

Activity (Go SEA)

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