UCSF

ZINC22037105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 5.45 12.73 -35.93 1 3 1 17 361.594 10
Hi High (pH 8-9.5) 5.45 10.41 -3.73 0 3 0 16 360.586 10
Mid Mid (pH 6-8) 5.45 12.87 -35.04 1 3 1 17 361.594 10

Activity (Go SEA)

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