UCSF

ZINC37080738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.26 5.69 -121.36 4 2 2 32 210.296 4
Mid Mid (pH 6-8) 1.26 3.69 -47.17 3 2 1 31 209.288 4
Mid Mid (pH 6-8) 1.26 5.34 -36.25 3 2 1 30 209.288 4

Activity (Go SEA)

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