UCSF

ZINC36327080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 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) 2.52 5.86 -53.12 0 5 -1 66 288.323 4
Mid Mid (pH 6-8) 2.52 8.02 -42.23 1 5 0 67 289.331 4

Activity (Go SEA)

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