UCSF

ZINC08680849

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 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) 3.15 10.71 -59.93 2 7 1 88 502.385 6
Hi High (pH 8-9.5) 3.15 8.54 -13.79 1 7 0 87 501.377 6

Activity (Go SEA)

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