UCSF

ZINC36613101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 2.67 5.47 -16.1 2 8 0 102 387.343 6
Hi High (pH 8-9.5) 2.29 4.25 -43.76 0 8 -1 104 386.335 6
Mid Mid (pH 6-8) 2.67 5.45 -12.38 2 8 0 102 387.343 6

Activity (Go SEA)

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