UCSF

ZINC44269239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 4.29 7.31 -25.12 3 3 1 45 264.78 2
Mid Mid (pH 6-8) 4.29 7.2 -6.8 2 3 0 44 263.772 2

Activity (Go SEA)

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