UCSF

ZINC35731306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.72 3.24 -122.5 6 4 2 75 263.385 5
Hi High (pH 8-9.5) 0.72 3.73 -50.24 5 4 1 74 262.377 5
Mid Mid (pH 6-8) 0.72 4.05 -36.12 5 4 1 74 262.377 5

Activity (Go SEA)

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