UCSF

ZINC19972608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 35 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) 3.24 10.48 -74.31 1 8 0 93 482.577 11
Hi High (pH 8-9.5) 3.24 8.27 -59.34 0 8 -1 91 481.569 11

Activity (Go SEA)

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