UCSF

ZINC06088686

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 34 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) 4.13 -3.61 -18.16 1 8 0 97 499.662 8
Hi High (pH 8-9.5) 4.13 -3.03 -47.58 0 8 -1 99 498.654 8

Activity (Go SEA)

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