UCSF

ZINC38622442

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 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) 2.73 7.31 -54.9 2 6 1 63 374.457 7
Mid Mid (pH 6-8) 2.73 6.03 -12.09 1 6 0 58 373.449 7

Activity (Go SEA)

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