UCSF

ZINC16310461

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 29 Yes

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) 4.74 6.45 -14.98 2 6 0 92 430.551 6
Hi High (pH 8-9.5) 4.74 6.53 -48.43 1 6 -1 94 429.543 6
Hi High (pH 8-9.5) 4.74 6.52 -47.23 1 6 -1 94 429.543 6
Hi High (pH 8-9.5) 4.74 6.59 -105.66 0 6 -2 96 428.535 6

Activity (Go SEA)

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