UCSF

ZINC36624456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.99 6.26 -14.44 2 6 0 79 370.236 2
Hi High (pH 8-9.5) 3.07 5.11 -52.4 1 6 -1 85 369.228 2

Activity (Go SEA)

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