UCSF

ZINC02538848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 1.14 6.3 -42.72 3 2 1 31 219.352 2
Hi High (pH 8-9.5) 1.14 5.97 -1.94 2 2 0 29 218.344 2
Lo Low (pH 4.5-6) 1.14 6.67 -88.38 4 2 2 32 220.36 2

Activity (Go SEA)

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