UCSF

ZINC00804255

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 23 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) 2.83 11.9 -14.33 1 5 0 60 308.385 1
Mid Mid (pH 6-8) 3.17 12.23 -45.24 2 5 1 64 309.393 1
Lo Low (pH 4.5-6) 3.57 10.74 -44.26 1 5 -1 66 307.377 1

Activity (Go SEA)

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