UCSF

ZINC04168062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 35 Yes

Other Names:

MFCD02233118

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) 4.38 -1.27 -18.57 1 7 0 86 476.573 6
Mid Mid (pH 6-8) 4.38 -1.71 -19.93 1 7 0 86 476.573 6
Mid Mid (pH 6-8) 4.54 -2.82 -16.13 1 7 0 86 476.573 6

Activity (Go SEA)

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