UCSF

ZINC27639703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 24 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) 3.93 11.21 -55.83 0 4 -1 74 333.448 9
Lo Low (pH 4.5-6) 3.93 10.09 -15.88 1 4 0 71 334.456 9

Activity (Go SEA)

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