UCSF

ZINC36618467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 4.43 9.2 -15.56 1 6 0 81 410.408 4
Hi High (pH 8-9.5) 4.50 7.82 -44.27 0 6 -1 87 409.4 4

Activity (Go SEA)

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