UCSF

ZINC00663005

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 No

Other Names:

MFCD01036971

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) 5.45 12.1 -10.06 0 3 0 47 389.882 1
Ref Reference (pH 7) 5.45 11.91 -10.6 0 3 0 47 389.882 1
Mid Mid (pH 6-8) 5.62 11.96 -10.17 0 3 0 47 389.882 1

Activity (Go SEA)

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