UCSF

ZINC44249267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 No

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) 1.17 3.18 -49.99 3 4 1 73 171.151 2
Mid Mid (pH 6-8) 1.17 2.83 -7.83 2 4 0 72 170.143 2

Activity (Go SEA)

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