UCSF

ZINC36838705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 1.27 8.77 -32.53 2 5 0 77 377.304 9
Hi High (pH 8-9.5) 1.27 7.7 -54.53 1 5 -1 72 376.296 9

Activity (Go SEA)

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