UCSF

ZINC44133986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 1.70 5.64 -43.19 2 4 1 47 287.383 6
Mid Mid (pH 6-8) 1.70 3.33 -7.45 1 4 0 46 286.375 6

Activity (Go SEA)

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