UCSF

ZINC14520278

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 26 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) 3.08 9.76 -45.05 2 6 1 59 375.88 5
Mid Mid (pH 6-8) 3.08 7.4 -11.92 1 6 0 58 374.872 5
Lo Low (pH 4.5-6) 3.08 10.1 -100.11 3 6 2 60 376.888 5

Activity (Go SEA)

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