UCSF

ZINC16729155

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 3.28 10.28 -74.3 1 6 0 74 426.488 8
Mid Mid (pH 6-8) 3.72 9.18 -58.84 2 6 1 71 427.496 7
Mid Mid (pH 6-8) 2.69 10.15 -60.04 1 6 1 68 427.496 8

Activity (Go SEA)

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