UCSF

ZINC08431982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 30 No

Other Names:

MFCD01920107

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) 6.01 -7.79 -12.43 2 6 0 92 526.25 6
Hi High (pH 8-9.5) 6.01 -6.63 -95.06 0 6 -2 96 524.234 6
Hi High (pH 8-9.5) 6.01 -7.21 -39.64 1 6 -1 94 525.242 6

Activity (Go SEA)

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