UCSF

ZINC45703356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 2.19 8.05 -33.8 2 4 1 43 245.387 10
Mid Mid (pH 6-8) 2.19 8.06 -114.99 3 4 2 47 246.395 10
Mid Mid (pH 6-8) 2.19 6.36 -36.25 2 4 1 46 245.387 10

Activity (Go SEA)

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