UCSF

ZINC13650153

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 0.14 2.75 -57.32 2 4 1 49 236.32 1
Mid Mid (pH 6-8) 0.14 1.54 -30.46 2 4 1 46 236.32 1
Mid Mid (pH 6-8) 0.14 1.35 -15.8 1 4 0 45 235.312 1

Activity (Go SEA)

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