UCSF

ZINC58314858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 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) 1.59 7.26 -56.54 2 8 1 76 339.427 6
Mid Mid (pH 6-8) 1.59 5.03 -11.22 1 8 0 74 338.419 6
Lo Low (pH 4.5-6) 1.59 7.73 -114.7 3 8 2 77 340.435 6

Activity (Go SEA)

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