UCSF

ZINC36639501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 6.24 12.21 -19.41 1 4 0 51 441.767 6
Hi High (pH 8-9.5) 6.42 9.81 -44.55 0 4 -1 58 440.759 6

Activity (Go SEA)

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