UCSF

ZINC44804888

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 21 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) 0.90 4.94 -41.81 3 4 1 51 288.415 5
Hi High (pH 8-9.5) 0.90 4.53 -7.78 2 4 0 50 287.407 5
Mid Mid (pH 6-8) 0.90 7.14 -100.2 4 4 2 52 289.423 5

Activity (Go SEA)

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