UCSF

ZINC43444330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.75 1.14 -5.8 3 3 0 49 180.251 4
Mid Mid (pH 6-8) 0.75 1.58 -15.99 4 3 0 51 181.259 4

Activity (Go SEA)

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