UCSF

ZINC19815403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 32 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) 3.99 7.05 -24.79 2 8 0 118 425.4 3
Hi High (pH 8-9.5) 4.13 5.29 -59.15 1 8 -1 121 424.392 3

Activity (Go SEA)

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