UCSF

ZINC29912419

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 22 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) 1.84 7.63 -54.14 2 6 1 76 322.41 6
Mid Mid (pH 6-8) 2.30 6.6 -39.65 1 6 0 80 321.402 6

Activity (Go SEA)

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