UCSF

ZINC38420688

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 23 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) 1.00 4.31 -37.35 2 5 1 52 316.377 1
Mid Mid (pH 6-8) 1.00 2.11 -7.87 1 5 0 51 315.369 1

Activity (Go SEA)

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