UCSF

ZINC36818273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 3.34 5.23 -10.56 1 5 0 72 285.365 7
Mid Mid (pH 6-8) 3.34 5.28 -45.91 0 5 -1 75 284.357 7

Activity (Go SEA)

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