UCSF

ZINC36237391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 22 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) 3.00 9.12 -54.46 2 4 1 37 313.812 2
Hi High (pH 8-9.5) 3.00 7.82 -9.04 1 4 0 33 312.804 2
Mid Mid (pH 6-8) 3.00 9.55 -90.66 3 4 2 38 314.82 2

Activity (Go SEA)

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