UCSF

ZINC19917818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 2.21 3.45 -47.6 4 3 1 57 236.335 3
Hi High (pH 8-9.5) 2.21 4.24 -70.7 3 3 0 60 235.327 3
Hi High (pH 8-9.5) 2.21 4.4 -52.49 3 3 0 60 235.327 3

Activity (Go SEA)

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