UCSF

ZINC37098252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 9 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) 0.43 1.22 -35.59 3 2 1 31 131.243 4
Mid Mid (pH 6-8) 0.43 3.19 -111.75 4 2 2 32 132.251 4
Mid Mid (pH 6-8) 0.43 2.79 -28.42 3 2 1 30 131.243 4

Activity (Go SEA)

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