UCSF

ZINC36777676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.96 4.36 -39.23 3 3 1 44 234.367 4
Mid Mid (pH 6-8) 1.96 4.45 -88.59 4 3 2 45 235.375 4
Mid Mid (pH 6-8) 1.96 6.59 -30.74 3 3 1 43 234.367 4

Activity (Go SEA)

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