UCSF

ZINC00399532

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

CAS Numbers: 13139-27-0 , 2503-29-9 , [13139-27-0]

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) 2.96 -3.24 -9.95 3 5 0 81 222.244 5

Activity (Go SEA)

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