UCSF

ZINC34474993

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 5.22 9.82 -54.14 1 5 -1 91 351.378 4
Hi High (pH 8-9.5) 5.22 10.51 -109.36 0 5 -2 93 350.37 4

Activity (Go SEA)

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