UCSF

ZINC51817039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 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) 0.06 2.21 -57.47 1 5 -1 76 209.225 3
Mid Mid (pH 6-8) 0.06 1.2 -13.28 2 5 0 74 210.233 3
Mid Mid (pH 6-8) 0.06 0.4 -28.68 2 5 0 78 210.233 3

Activity (Go SEA)

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