UCSF

ZINC37227290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 0.01 0.27 -42.87 4 4 1 63 202.322 8
Hi High (pH 8-9.5) 0.01 -1.07 -7.36 3 4 0 58 201.314 8
Mid Mid (pH 6-8) 0.01 2.39 -113.62 5 4 2 64 203.33 8
Mid Mid (pH 6-8) 0.01 1.03 -36.39 4 4 1 60 202.322 8

Activity (Go SEA)

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