UCSF

ZINC44412999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 15 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) 2.33 6.42 -117.06 4 2 2 32 212.381 5
Mid Mid (pH 6-8) 2.33 6.04 -30.47 3 2 1 30 211.373 5
Mid Mid (pH 6-8) 2.33 4.51 -42.32 3 2 1 31 211.373 5

Activity (Go SEA)

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