UCSF

ZINC00621987

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

CAS Numbers: 122996-47-8 , 464193-92-8 , [268729-12-0]

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) 2.61 12.53 -59.69 0 6 -1 79 408.474 6

Activity (Go SEA)

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