UCSF

ZINC11635275

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 23 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) 3.02 2.95 -13.35 3 6 0 95 331.397 3
Hi High (pH 8-9.5) 2.99 3.77 -43.56 2 6 1 94 330.389 3
Hi High (pH 8-9.5) 3.02 3.37 -45.39 2 6 -1 97 330.389 3

Activity (Go SEA)

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