UCSF

ZINC05551289

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 No

Download: MOL2 SDF SMILES Flexibase

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) 5.74 9.79 -9.16 1 4 0 54 350.443 5
Mid Mid (pH 6-8) 5.25 9.58 -43.14 0 4 -1 53 349.435 6
Lo Low (pH 4.5-6) 5.25 9.97 -14.4 1 4 0 51 350.443 6

Activity (Go SEA)

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