UCSF

ZINC08700768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 35 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) 6.62 11.39 -11.79 1 7 0 86 485.565 6
Mid Mid (pH 6-8) 7.07 9.45 -50.17 0 7 -1 89 484.557 6
Mid Mid (pH 6-8) 7.07 8.14 -46.93 0 7 -1 89 484.557 6
Lo Low (pH 4.5-6) 6.62 10.56 -27.8 2 7 1 87 486.573 6
Lo Low (pH 4.5-6) 6.62 11.68 -27.27 2 7 1 87 486.573 6

Activity (Go SEA)

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