UCSF

ZINC44660121

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 2.40 7.03 -108.44 3 3 2 30 244.423 6
Mid Mid (pH 6-8) 2.40 6.04 -31.12 2 3 1 26 243.415 6
Mid Mid (pH 6-8) 2.40 5.48 -32.81 2 3 1 29 243.415 6

Activity (Go SEA)

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