UCSF

ZINC40374080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 30 No

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) 0.83 3.1 -57.83 4 9 1 130 443.542 10
Hi High (pH 8-9.5) 0.83 2.65 -19.68 3 9 0 128 442.534 10

Activity (Go SEA)

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