UCSF

ZINC19850674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 No

Other Names:

MFCD01630742

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) -0.65 -0.22 -89.66 2 6 -2 121 244.12 7
Hi High (pH 8-9.5) -0.65 2.02 -291.58 0 6 -4 126 242.104 7
Mid Mid (pH 6-8) -0.65 0.78 -188.54 1 6 -3 124 243.112 7

Activity (Go SEA)

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