UCSF

ZINC36639613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 5.22 12.42 -24.75 1 5 0 68 477.767 4
Hi High (pH 8-9.5) 5.41 10.06 -49.99 0 5 -1 75 476.759 4

Activity (Go SEA)

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