UCSF

ZINC14520693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 31 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) 1.47 8.06 -52.85 4 8 1 95 421.525 6
Mid Mid (pH 6-8) 1.47 5.59 -20.77 3 8 0 93 420.517 6

Activity (Go SEA)

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