UCSF

ZINC42446806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 2.64 7.02 -49.55 3 4 1 63 262.377 8
Mid Mid (pH 6-8) 2.64 5.16 -7.19 2 4 0 62 261.369 8

Activity (Go SEA)

Rings

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