UCSF

ZINC62862762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 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) 2.34 7.39 -95.1 3 2 2 21 226.408 5
Mid Mid (pH 6-8) 2.34 6.14 -36.43 2 2 1 20 225.4 5

Activity (Go SEA)

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