UCSF

ZINC36211054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.52 5.37 -101.19 4 2 2 32 186.343 3
Hi High (pH 8-9.5) 1.52 4.99 -30.18 3 2 1 30 185.335 3

Activity (Go SEA)

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