UCSF

ZINC08856344

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 7.27 -0.2 -52.95 1 4 -1 68 447.539 6
Mid Mid (pH 6-8) 7.27 0 -62.93 2 4 0 70 448.547 6

Activity (Go SEA)

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