UCSF

ZINC29563215

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 4.62 6.82 -10.47 2 4 0 62 306.152 2
Mid Mid (pH 6-8) 4.62 7.48 -45.38 1 4 -1 65 305.144 2

Activity (Go SEA)

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