UCSF

ZINC37390762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.83 8.86 -113.3 4 2 2 32 262.441 5
Mid Mid (pH 6-8) 2.83 6.86 -42.11 3 2 1 31 261.433 5
Mid Mid (pH 6-8) 2.83 8.74 -29.59 3 2 1 30 261.433 5

Activity (Go SEA)

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