UCSF

ZINC27422202

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) 0.90 6.5 -105.93 2 6 0 82 361.417 4
Hi High (pH 8-9.5) 0.90 5.01 -69.02 1 6 -1 77 360.409 4
Mid Mid (pH 6-8) -1.84 5.54 -75.53 3 6 1 85 362.425 3

Activity (Go SEA)

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