UCSF

ZINC00241397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

Other Names:

MFCD00397164

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) 4.51 8.79 -12.85 1 4 0 59 329.421 5
Ref Reference (pH 7) 4.51 7.6 -12.19 1 4 0 59 329.421 5
Hi High (pH 8-9.5) 4.51 9.56 -56.8 0 4 -1 62 328.413 5
Hi High (pH 8-9.5) 4.51 8.59 -51.03 0 4 -1 62 328.413 5
Lo Low (pH 4.5-6) 4.51 9.29 -31.2 2 4 1 61 330.429 5

Activity (Go SEA)

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