UCSF

ZINC39207838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 2.46 5.27 -113 4 2 2 33 186.343 5
Hi High (pH 8-9.5) 2.46 4.08 -33.94 3 2 1 29 185.335 5
Mid Mid (pH 6-8) 2.46 4.06 -35.67 3 2 1 29 185.335 5

Activity (Go SEA)

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