UCSF

ZINC44250480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) -2.07 -2.64 -43.13 6 4 1 91 181.215 3
Hi High (pH 8-9.5) -2.07 -2.97 -9.43 5 4 0 89 180.207 3

Activity (Go SEA)

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