UCSF

ZINC37806767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 1.96 4.29 -8.08 1 3 0 32 242.388 2
Mid Mid (pH 6-8) 1.96 5.61 -40.04 2 3 1 37 243.396 2

Activity (Go SEA)

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