UCSF

ZINC20988009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 3.26 4.4 -15.79 2 5 0 71 332.425 4
Hi High (pH 8-9.5) 4.19 5.4 -51.61 1 5 -1 78 331.417 3
Lo Low (pH 4.5-6) 3.26 5.3 -30.57 3 5 1 73 333.433 4

Activity (Go SEA)

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