UCSF

ZINC36748909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 0.14 3.96 -41.46 3 5 1 52 210.305 1
Mid Mid (pH 6-8) 0.14 1.72 -24.47 3 5 1 52 210.305 1
Mid Mid (pH 6-8) 0.14 1.6 -4.84 2 5 0 50 209.297 1
Mid Mid (pH 6-8) 0.14 4.08 -80.47 4 5 2 53 211.313 1

Activity (Go SEA)

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