UCSF

ZINC13723059

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 0.79 -2.32 -30.21 3 11 0 170 489.553 6
Hi High (pH 8-9.5) 0.79 -2.23 -66.49 2 11 -1 172 488.545 6

Activity (Go SEA)

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