UCSF

ZINC31933724

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.38 3.34 -12.5 2 5 0 67 293.392 4
Hi High (pH 8-9.5) 1.84 3.74 -44.88 2 5 0 75 293.392 4
Mid Mid (pH 6-8) 1.38 4.79 -53.57 3 5 1 72 294.4 4

Activity (Go SEA)

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