UCSF

ZINC43609657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.53 8.28 -59.2 1 8 -1 117 490.561 8
Mid Mid (pH 6-8) 3.53 8.79 -45.89 2 8 0 118 491.569 8
Lo Low (pH 4.5-6) 3.53 8.25 -19.51 2 8 0 114 491.569 8

Activity (Go SEA)

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