UCSF

ZINC13571712

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 28 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) 3.43 7.44 -50.16 0 6 -1 88 375.335 3
Lo Low (pH 4.5-6) 2.98 10.13 -12.83 1 6 0 85 376.343 3

Activity (Go SEA)

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