UCSF

ZINC08980713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 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) 1.02 3.98 -49.31 1 10 -1 128 456.475 8
Mid Mid (pH 6-8) 1.02 6.41 -50.23 3 10 1 127 458.491 8
Mid Mid (pH 6-8) 0.44 6.83 -53.07 2 10 1 123 458.491 8
Mid Mid (pH 6-8) 1.02 6.24 -61.9 2 10 0 129 457.483 8
Mid Mid (pH 6-8) 2.13 7.97 -34.41 1 6 1 56 349.451 3
Lo Low (pH 4.5-6) 1.02 3.24 -14.71 2 10 0 125 457.483 8

Activity (Go SEA)

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