UCSF

ZINC35014543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.86 5.3 -132.46 4 4 2 46 311.514 8
Hi High (pH 8-9.5) 1.86 2.64 -2.12 2 4 0 37 309.498 8
Mid Mid (pH 6-8) 1.86 3.96 -44.02 3 4 1 41 310.506 8
Lo Low (pH 4.5-6) 1.86 6.22 -98.36 4 4 2 42 311.514 8
Lo Low (pH 4.5-6) 1.86 7.56 -230.32 5 4 3 47 312.522 8

Activity (Go SEA)

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