UCSF

ZINC38003755

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.56 2.47 -11.53 2 4 0 66 295.335 4
Mid Mid (pH 6-8) 2.56 2.5 -54.18 1 4 -1 68 294.327 4

Activity (Go SEA)

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