UCSF

ZINC13941031

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 30 No

Other Names:

MFCD02955237

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) 7.99 14.89 -11.55 0 4 0 48 457.382 3
Ref Reference (pH 7) 7.99 15.22 -10.71 0 4 0 48 457.382 3

Activity (Go SEA)

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