UCSF

ZINC13690200

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 1.72 5.9 -11.63 0 6 0 68 371.396 3
Lo Low (pH 4.5-6) 1.72 9.14 -112.14 2 6 2 71 373.412 3
Lo Low (pH 4.5-6) 1.72 9.14 -123.21 2 6 2 71 373.412 3
Lo Low (pH 4.5-6) 1.72 9.42 -184.5 3 6 3 72 374.42 3

Activity (Go SEA)

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