UCSF

ZINC35565249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 26 Yes

CAS Number: 124858-35-1

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) 0.24 8.51 -68.44 1 6 -1 86 359.377 2
Mid Mid (pH 6-8) -2.50 6.01 -28.68 2 6 0 89 360.385 1

Activity (Go SEA)

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