UCSF

ZINC36991631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

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) 4.86 11.91 -42.26 2 1 1 17 365.36 6
Hi High (pH 8-9.5) 4.86 11.1 -3.08 1 1 0 12 364.352 6

Activity (Go SEA)

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