UCSF

ZINC44260064

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.78 1.46 -40.99 2 5 -1 87 280.304 3
Mid Mid (pH 6-8) 1.78 1.39 -8.59 3 5 0 85 281.312 3

Activity (Go SEA)

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