UCSF

ZINC40749389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 13 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) 1.19 2.99 -38.64 3 2 1 31 183.319 2
Mid Mid (pH 6-8) 1.19 5.16 -99.07 4 2 2 32 184.327 2
Mid Mid (pH 6-8) 1.19 5.16 -24.92 3 2 1 30 183.319 2

Activity (Go SEA)

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