UCSF

ZINC05490544

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 30 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) 3.13 9.66 -59.51 0 5 -1 73 401.417 5
Mid Mid (pH 6-8) 3.57 1.05 -19.51 1 5 0 70 402.425 4
Lo Low (pH 4.5-6) 3.57 1.52 -53.25 2 5 1 71 403.433 4

Activity (Go SEA)

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