UCSF

ZINC32109027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) -0.44 4.31 -66.72 1 6 0 74 256.302 3
Hi High (pH 8-9.5) -0.44 2.1 -56.4 0 6 -1 73 255.294 3

Activity (Go SEA)

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