UCSF

ZINC20171305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.27 11.62 -66.45 1 6 0 74 456.97 10
Hi High (pH 8-9.5) 4.27 9.41 -55.84 0 6 -1 73 455.962 10
Lo Low (pH 4.5-6) 4.27 10.8 -48.88 2 6 1 71 457.978 10

Activity (Go SEA)

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