UCSF

ZINC32103076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 3.11 6.42 -45.13 3 2 1 37 248.371 4
Hi High (pH 8-9.5) 3.11 6.11 -4.19 2 2 0 35 247.363 4

Activity (Go SEA)

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