UCSF

ZINC04649465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 24 Yes

CAS Number: 130-95-0

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) 2.81 -1.38 -41.03 2 4 1 46 325.432 4

Activity (Go SEA)

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