UCSF

ZINC36677451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 1.70 4.78 -104.74 4 2 2 32 186.343 4
Hi High (pH 8-9.5) 1.70 4.39 -28.81 3 2 1 30 185.335 4
Hi High (pH 8-9.5) 1.70 3.04 -40.91 3 2 1 31 185.335 4

Activity (Go SEA)

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