UCSF

ZINC44242806

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 3.18 2.92 -32.92 2 5 -1 87 420.106 3
Mid Mid (pH 6-8) 3.18 3.13 -6.96 3 5 0 85 421.114 3

Activity (Go SEA)

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