UCSF

ZINC04398347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 29 No

Other Names:

MFCD02933703

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) 4.89 1.38 -10.98 1 4 0 57 468.372 6
Mid Mid (pH 6-8) 4.31 1.64 -19.17 0 4 0 54 468.372 6

Activity (Go SEA)

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