UCSF

ZINC51693737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 16 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) 0.80 4.55 -47.32 4 4 1 65 221.328 3
Mid Mid (pH 6-8) 0.80 4.93 -85 5 4 2 67 222.336 3

Activity (Go SEA)

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