UCSF

ZINC13552480

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 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) 2.69 4.62 -17.68 2 6 0 76 292.364 4
Hi High (pH 8-9.5) 2.32 3.16 -48.11 1 6 -1 82 291.356 5

Activity (Go SEA)

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