UCSF

ZINC36781652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.16 5.67 -45.67 3 3 1 46 233.335 4
Hi High (pH 8-9.5) 2.16 4.49 -8.37 2 3 0 41 232.327 4

Activity (Go SEA)

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