UCSF

ZINC37038191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 11 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) 0.17 2.07 -44.97 2 3 1 44 154.237 2
Hi High (pH 8-9.5) 0.17 0.74 -5.02 1 3 0 39 153.229 2

Activity (Go SEA)

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