UCSF

ZINC45704484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.55 4.51 -30.14 3 3 1 40 243.415 7
Mid Mid (pH 6-8) 2.55 6.11 -33.44 3 3 1 37 243.415 7
Lo Low (pH 4.5-6) 2.55 6.2 -107.55 4 3 2 41 244.423 7

Activity (Go SEA)

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