UCSF

ZINC37825096

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.08 4.34 -174.28 5 5 3 57 245.391 5
Mid Mid (pH 6-8) -1.08 3.94 -99.35 4 5 2 55 244.383 5

Activity (Go SEA)

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