UCSF

ZINC26893463

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 13 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) -4.24 -4.43 -45.38 5 6 0 111 192.215 7
Mid Mid (pH 6-8) -4.24 -6.12 -40.36 5 6 0 111 192.215 7
Mid Mid (pH 6-8) -4.24 -4.01 -83.77 6 6 1 113 193.223 7

Activity (Go SEA)

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