UCSF

ZINC01021011

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 24 No

Other Names:

MFCD00701267

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) 1.73 6.17 -11.62 1 6 0 73 324.336 4
Hi High (pH 8-9.5) 2.18 4.64 -47.07 0 6 -1 76 323.328 4

Activity (Go SEA)

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