UCSF

ZINC38476207

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 17 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) 2.74 5.43 -10.36 3 4 0 68 244.685 1
Hi High (pH 8-9.5) 2.74 4.26 -42.64 2 4 -1 66 243.677 1

Activity (Go SEA)

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