UCSF

ZINC24032688

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 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) 1.03 5.12 -52.86 2 7 1 66 361.466 5
Hi High (pH 8-9.5) 1.03 2.89 -14.94 1 7 0 65 360.458 5
Lo Low (pH 4.5-6) 1.03 5.06 -47.65 2 7 1 66 361.466 5

Activity (Go SEA)

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