UCSF

ZINC44824907

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 13 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) 0.10 3.44 -53 2 4 1 57 182.247 2
Hi High (pH 8-9.5) 0.28 1.56 -42.46 1 4 0 64 181.239 2

Activity (Go SEA)

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