UCSF

ZINC37776909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.53 6.03 -5.02 2 2 0 32 255.361 5
Mid Mid (pH 6-8) 3.53 7.16 -40.61 3 2 1 37 256.369 5

Activity (Go SEA)

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