UCSF

ZINC35638325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 22 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) 3.09 5.57 -39.64 0 5 -1 66 310.358 4
Mid Mid (pH 6-8) 3.09 6.03 -13.48 1 5 0 64 311.366 4
Lo Low (pH 4.5-6) 3.09 6.03 -35.36 1 5 0 67 311.366 4

Activity (Go SEA)

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