UCSF

ZINC09601977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 32 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) 3.83 11.09 -12.18 2 8 0 94 444.52 5
Lo Low (pH 4.5-6) 3.83 11.38 -42.77 3 8 1 95 445.528 5

Activity (Go SEA)

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