UCSF

ZINC01446544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 31 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) 2.76 9.08 -59.93 0 6 -1 83 417.416 6
Mid Mid (pH 6-8) 3.21 -0.21 -31.25 1 6 0 79 418.424 5
Mid Mid (pH 6-8) 2.18 0.03 -26.08 0 6 0 76 418.424 6
Lo Low (pH 4.5-6) 3.21 -0.1 -52.3 2 6 1 80 419.432 5
Lo Low (pH 4.5-6) 2.18 0.15 -52.75 1 6 1 77 419.432 6

Activity (Go SEA)

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