UCSF

ZINC36639753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 7.13 13.11 -16.97 1 4 0 55 477.8 4
Hi High (pH 8-9.5) 7.20 11.7 -50.22 0 4 -1 61 476.792 4

Activity (Go SEA)

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