UCSF

ZINC44027696

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 25 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) 4.06 6.55 -11.5 1 5 0 65 407.26 8
Hi High (pH 8-9.5) 4.06 7.48 -45.55 0 5 -1 68 406.252 8

Activity (Go SEA)

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