UCSF

ZINC02417825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 26 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) 6.12 10.86 -10.11 1 4 0 50 402.306 2
Hi High (pH 8-9.5) 6.58 9.09 -45.36 0 4 -1 53 401.298 2

Activity (Go SEA)

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