UCSF

ZINC19939662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 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) 3.59 7.6 -10.12 0 4 0 30 359.832 4
Mid Mid (pH 6-8) 3.59 8 -26.09 1 4 1 32 360.84 4

Activity (Go SEA)

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