UCSF

ZINC31892425

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 No

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) 1.82 6.24 -58.1 0 5 -1 73 217.204 2
Mid Mid (pH 6-8) 1.52 4.06 -61.86 1 5 -1 78 217.204 2

Activity (Go SEA)

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