UCSF

ZINC38538942

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) 0.99 4.48 -34.9 3 2 1 30 213.251 2
Mid Mid (pH 6-8) 0.99 2.27 -45.12 3 2 1 31 213.251 2
Lo Low (pH 4.5-6) 0.99 4.76 -118.8 4 2 2 32 214.259 2

Activity (Go SEA)

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