UCSF

ZINC32108579

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 No

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) 0.43 0.97 -68.28 3 4 1 71 256.347 4
Hi High (pH 8-9.5) 0.43 -0.44 -14.15 2 4 0 66 255.339 4

Activity (Go SEA)

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