UCSF

ZINC05684190

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 27 Yes

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) 2.56 8.03 -45.86 1 8 -1 111 382.425 3
Mid Mid (pH 6-8) 2.39 7.13 -129.18 0 8 -2 114 381.417 4
Mid Mid (pH 6-8) 2.38 7.94 -28.98 2 8 0 109 383.433 4
Lo Low (pH 4.5-6) 2.38 9.07 -41.44 3 8 1 111 384.441 4
Lo Low (pH 4.5-6) 2.56 8.19 -22.77 2 8 0 112 383.433 3

Activity (Go SEA)

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