UCSF

ZINC00361922

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Other Names:

MFCD01027188

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) 3.53 -2.34 -9.09 1 3 0 46 261.346 3
Hi High (pH 8-9.5) 3.53 -1.78 -43.76 0 3 -1 48 260.338 3

Activity (Go SEA)

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