UCSF

ZINC36874722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 0.26 4.37 -104.26 4 3 2 47 181.283 1
Mid Mid (pH 6-8) 0.26 3.86 -51.39 3 3 1 45 180.275 1

Activity (Go SEA)

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