UCSF

ZINC44684153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.73 8.71 -41.1 2 2 1 20 281.423 4
Hi High (pH 8-9.5) 3.73 7.85 -3.5 1 2 0 15 280.415 4
Mid Mid (pH 6-8) 3.73 10.13 -35.32 2 2 1 16 281.423 4

Activity (Go SEA)

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