UCSF

ZINC44675926

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 16 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) 2.11 7.38 -119.26 4 2 2 33 220.36 7
Mid Mid (pH 6-8) 2.11 6.09 -38.09 3 2 1 29 219.352 7
Mid Mid (pH 6-8) 2.11 6.03 -39.08 3 2 1 29 219.352 7

Activity (Go SEA)

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