UCSF

ZINC45702884

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.17 4.57 -42.25 3 5 1 72 245.343 10
Hi High (pH 8-9.5) 1.17 3.31 -8.41 2 5 0 67 244.335 10

Activity (Go SEA)

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