UCSF

ZINC36360243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 3.11 5.89 -12.81 2 6 0 80 403.36 4
Ref Reference (pH 7) 2.93 8.53 -12.85 2 6 0 76 403.36 4
Lo Low (pH 4.5-6) 2.93 8.99 -47.1 3 6 1 78 404.368 4

Activity (Go SEA)

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