UCSF

ZINC09541001

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 37 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) 3.47 10.23 -43.63 0 8 -1 101 499.543 9
Mid Mid (pH 6-8) 3.91 9.67 -27.51 1 8 0 98 500.551 8
Lo Low (pH 4.5-6) 3.91 9.94 -57.44 2 8 1 99 501.559 8

Activity (Go SEA)

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