UCSF

ZINC37803751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.95 1.66 -60.5 4 6 1 94 267.334 4
Hi High (pH 8-9.5) -0.49 -1.12 -79.15 3 6 0 97 266.326 4

Activity (Go SEA)

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