UCSF

ZINC70544361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2011 21 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) 3.71 11.91 -58.09 1 4 0 54 289.375 9
Hi High (pH 8-9.5) 3.71 9.8 -60.26 0 4 -1 53 288.367 9

Activity (Go SEA)

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