UCSF

ZINC13301418

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 24 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) 4.52 6.71 -11.28 2 5 0 70 464.039 3
Hi High (pH 8-9.5) 4.98 4.68 -46.6 1 5 -1 73 463.031 3
Lo Low (pH 4.5-6) 4.98 4.28 -40.03 3 5 1 72 465.047 3

Activity (Go SEA)

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