UCSF

ZINC02166432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 21 Yes

CAS Number: 1145-81-9

Other Names:

MFCD00026892

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) 1.39 -2.03 -9.6 2 7 0 93 294.307 9

Activity (Go SEA)

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