UCSF

ZINC32109262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 24 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) 6.30 8.75 -9.81 2 4 0 61 471.149 3
Mid Mid (pH 6-8) 6.30 9.52 -43.53 1 4 -1 64 470.141 3

Activity (Go SEA)

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