UCSF

ZINC25180693

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 1.41 4.83 -73.26 3 9 0 133 454.479 11
Hi High (pH 8-9.5) 1.41 3.34 -59.94 2 9 -1 128 453.471 11

Activity (Go SEA)

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