UCSF

ZINC62963281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.84 2.03 -11.13 1 4 0 59 302.465 5
Mid Mid (pH 6-8) 1.84 3.21 -49.51 2 4 1 64 303.473 5
Lo Low (pH 4.5-6) 1.84 4.12 -116.76 3 4 2 65 304.481 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.