UCSF

ZINC13072262

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 21 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) 1.56 3.06 -53.85 1 6 -1 99 305.335 5
Lo Low (pH 4.5-6) 1.56 3.33 -71.71 2 6 0 100 306.343 5

Activity (Go SEA)

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