UCSF

ZINC36125154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 1.04 4.59 -40.42 1 5 1 37 258.386 5
Mid Mid (pH 6-8) 1.04 6.66 -103.5 2 5 2 38 259.394 5
Mid Mid (pH 6-8) 1.04 4.2 -39.42 1 5 1 37 258.386 5

Activity (Go SEA)

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