UCSF

ZINC20029347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 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) 4.78 13.26 -71.06 1 6 0 74 464.606 10
Hi High (pH 8-9.5) 4.78 10.94 -59.12 0 6 -1 73 463.598 10

Activity (Go SEA)

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