UCSF

ZINC36983619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.29 1.24 -9.46 1 4 0 49 278.736 2
Mid Mid (pH 6-8) 1.29 2.49 -49.04 2 4 1 54 279.744 2

Activity (Go SEA)

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