UCSF

ZINC27639605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 26 Yes

CAS Number: 74843-13-3

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) 4.38 8.61 -49.51 2 4 -1 81 363.518 10
Lo Low (pH 4.5-6) 4.38 7.49 -11.39 3 4 0 78 364.526 10

Activity (Go SEA)

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