UCSF

ZINC01015864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 22 No

Other Names:

MFCD02943307

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) 5.49 9.62 -7.63 1 3 0 45 308.406 2
Ref Reference (pH 7) 5.49 9.91 -7.93 1 3 0 45 308.406 2
Mid Mid (pH 6-8) 5.00 9.76 -41.92 0 3 -1 44 307.398 3
Lo Low (pH 4.5-6) 5.00 10.19 -13.22 1 3 0 42 308.406 3

Activity (Go SEA)

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