UCSF

ZINC04106964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 23 Yes

Other Names:

MFCD05669752

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) 1.28 6.06 -64.38 4 5 1 75 312.393 6
Hi High (pH 8-9.5) 1.28 4.7 -16.81 3 5 0 70 311.385 6

Activity (Go SEA)

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