UCSF

ZINC37080603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.16 3.99 -24.86 3 3 1 43 164.232 2
Mid Mid (pH 6-8) 1.16 3.66 -5.43 2 3 0 42 163.224 2

Activity (Go SEA)

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