UCSF

ZINC08659717

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2007 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) 2.02 0.65 -10.68 0 5 0 61 326.377 4
Lo Low (pH 4.5-6) 2.02 0.75 -50.35 1 5 1 62 327.385 4

Activity (Go SEA)

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