UCSF

ZINC28287653

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 24 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) 4.05 9.04 -24.09 1 5 0 64 343.383 5
Mid Mid (pH 6-8) 4.23 7.96 -46.24 0 5 -1 70 342.375 5

Activity (Go SEA)

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