UCSF

ZINC41189748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 2.04 5.39 -32.4 2 3 1 33 280.461 3
Hi High (pH 8-9.5) 2.04 6.64 -32.3 2 3 1 29 280.461 3
Mid Mid (pH 6-8) 2.04 7.76 -98.21 3 3 2 34 281.469 3
Lo Low (pH 4.5-6) 2.04 5.84 -82.18 3 3 2 31 281.469 3

Activity (Go SEA)

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