UCSF

ZINC62960308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

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) 2.25 8.29 -54.2 0 5 -1 64 283.392 6
Lo Low (pH 4.5-6) 2.25 6.32 -14.03 1 5 0 61 284.4 6

Activity (Go SEA)

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