UCSF

ZINC32106033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 15 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) 2.77 6.11 -7.75 0 3 0 39 201.225 2
Lo Low (pH 4.5-6) 2.77 6.53 -38.76 1 3 1 40 202.233 2

Activity (Go SEA)

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