UCSF

ZINC01192504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 27 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) 1.65 1.2 -54.58 1 8 -1 114 367.337 4
Lo Low (pH 4.5-6) 1.19 3.66 -14.77 2 8 0 111 368.345 4

Activity (Go SEA)

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