UCSF

ZINC50027240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 18 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) -2.53 3.18 -105.35 4 7 -1 137 259.282 8
Hi High (pH 8-9.5) -2.53 2.85 -114.28 3 7 -2 135 258.274 8

Activity (Go SEA)

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