UCSF

ZINC42965740

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 Yes

CAS Numbers: 1180676-32-7 , 1180676-33-8

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) 4.41 11.85 -47.32 0 2 -1 40 285.75 5
Lo Low (pH 4.5-6) 4.41 9.81 -5.17 1 2 0 37 286.758 5

Activity (Go SEA)

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