UCSF

ZINC00628269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD03865604

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) 3.90 -7.82 -15.45 2 7 0 101 432.523 8
Hi High (pH 8-9.5) 3.90 -6.67 -96.04 0 7 -2 105 430.507 8
Hi High (pH 8-9.5) 3.90 -7.24 -42.79 1 7 -1 103 431.515 8
Hi High (pH 8-9.5) 3.90 -7.24 -47.7 1 7 -1 103 431.515 8

Activity (Go SEA)

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