UCSF

ZINC43388483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.70 8.29 -127.29 3 2 2 21 258.768 5
Mid Mid (pH 6-8) 2.70 5.84 -48.32 2 2 1 20 257.76 5
Mid Mid (pH 6-8) 2.70 6.93 -37.62 2 2 1 16 257.76 5

Activity (Go SEA)

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