UCSF

ZINC41189169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 1.82 4.3 -28.25 2 3 1 33 266.434 3
Hi High (pH 8-9.5) 1.82 6.65 -33.57 2 3 1 29 266.434 3
Mid Mid (pH 6-8) 1.82 6.66 -96.71 3 3 2 34 267.442 3

Activity (Go SEA)

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