UCSF

ZINC37054748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.19 3.29 -11.72 1 5 0 62 291.376 5
Lo Low (pH 4.5-6) 1.19 3.75 -44.16 2 5 1 64 292.384 5

Activity (Go SEA)

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