UCSF

ZINC13692235

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 2.04 6.64 -55.41 0 7 -1 95 410.406 5
Mid Mid (pH 6-8) 2.49 5.65 -28.32 1 7 0 93 411.414 4
Mid Mid (pH 6-8) 1.46 6.62 -23.07 0 7 0 89 411.414 5
Lo Low (pH 4.5-6) 2.49 5.94 -59.64 2 7 1 94 412.422 4
Lo Low (pH 4.5-6) 1.46 6.91 -51.39 1 7 1 91 412.422 5

Activity (Go SEA)

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