UCSF

ZINC04216310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 28 Yes

CAS Number: 84057-96-5

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) 3.72 -2.05 -45.92 3 5 1 64 392.491 13

Activity (Go SEA)

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