UCSF

ZINC37543085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 1.07 3.66 -45.24 4 4 1 60 312.434 7
Hi High (pH 8-9.5) 1.07 2.79 -46.63 4 4 1 63 312.434 7
Mid Mid (pH 6-8) 1.07 5.02 -120.8 5 4 2 64 313.442 7

Activity (Go SEA)

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