UCSF

ZINC16097075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 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) 4.77 6.48 -14.22 2 6 0 92 430.551 8
Hi High (pH 8-9.5) 4.77 6.59 -43.49 1 6 -1 94 429.543 8
Hi High (pH 8-9.5) 4.77 6.56 -46.03 1 6 -1 94 429.543 8
Hi High (pH 8-9.5) 4.77 6.67 -96.47 0 6 -2 96 428.535 8

Activity (Go SEA)

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