UCSF

ZINC16731562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 3.00 9.13 -57.04 0 9 -1 125 437.428 10
Mid Mid (pH 6-8) 3.44 8.09 -30.46 1 9 0 122 438.436 9
Mid Mid (pH 6-8) 2.42 9.06 -24.76 0 9 0 119 438.436 10

Activity (Go SEA)

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