UCSF

ZINC36840098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 0.37 4.94 -30.41 3 5 0 86 244.335 8
Hi High (pH 8-9.5) 0.37 3.99 -46.78 2 5 -1 81 243.327 8

Activity (Go SEA)

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