UCSF

ZINC07487664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 26 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) 3.13 10.04 -57.09 2 6 1 76 392.888 6
Mid Mid (pH 6-8) 3.13 7.73 -13.32 1 6 0 75 391.88 6
Mid Mid (pH 6-8) 3.59 7.35 -45.89 1 6 0 80 391.88 6

Activity (Go SEA)

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