UCSF

ZINC70655427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 14 No

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) 1.54 8.18 -11.95 1 3 0 34 211.334 1
Mid Mid (pH 6-8) 2.26 8.32 -44.92 0 3 -1 31 210.326 1

Activity (Go SEA)

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