UCSF

ZINC37049136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.99 3.88 -85.32 4 3 2 35 215.385 5
Hi High (pH 8-9.5) 0.99 2.05 -41.64 3 3 1 34 214.377 5

Activity (Go SEA)

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