UCSF

ZINC61642593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) 0.61 3.17 -89.1 4 3 2 35 215.385 7
Mid Mid (pH 6-8) 0.61 5.82 -170.6 5 3 3 37 216.393 7
Mid Mid (pH 6-8) 0.61 3.19 -86.13 4 3 2 35 215.385 7

Activity (Go SEA)

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