UCSF

ZINC44259809

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) -0.46 0.6 -55.97 4 6 1 93 303.383 4
Mid Mid (pH 6-8) -0.46 0.28 -113.26 5 6 2 91 304.391 4

Activity (Go SEA)

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