UCSF

ZINC13684661

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 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) 3.26 11 -10.82 2 9 0 121 466.538 8
Ref Reference (pH 7) 3.26 10.87 -18.4 2 9 0 121 466.538 8
Ref Reference (pH 7) 3.26 10.81 -16.93 2 9 0 121 466.538 8
Ref Reference (pH 7) 3.26 10.8 -16.94 2 9 0 121 466.538 8
Mid Mid (pH 6-8) 3.26 11.26 -28.04 3 9 1 123 467.546 8

Activity (Go SEA)

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