UCSF

ZINC00834485

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 Yes

Other Names:

MFCD01165787

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) 3.49 -9.53 -16.41 4 7 0 118 437.93 6
Hi High (pH 8-9.5) 3.49 -8.36 -98.2 2 7 -2 122 435.914 6
Hi High (pH 8-9.5) 3.49 -8.94 -51.08 3 7 -1 120 436.922 6
Hi High (pH 8-9.5) 3.49 -8.94 -44.41 3 7 -1 120 436.922 6

Activity (Go SEA)

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