UCSF

ZINC03987355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 27 Yes

CAS Number: 729605-21-4

Other Names:

MFCD12828749

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) 3.80 -0.99 -11.65 0 5 0 41 380.879 3

Activity (Go SEA)

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