UCSF

ZINC44510000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 2.18 3.18 -17.62 1 5 0 86 257.34 2
Mid Mid (pH 6-8) 1.25 2.65 -43.3 0 5 -1 85 256.332 3

Activity (Go SEA)

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