UCSF

ZINC34959508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 1.15 6.5 -30.57 2 3 0 57 258.115 4
Hi High (pH 8-9.5) 1.15 5.39 -43.47 1 3 -1 52 257.107 4

Activity (Go SEA)

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