UCSF

ZINC11820664

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 28 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) 2.14 -1.83 -10.66 0 9 0 93 381.44 5
Lo Low (pH 4.5-6) 2.14 -1.77 -40.05 1 9 1 95 382.448 5

Activity (Go SEA)

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