UCSF

ZINC36993922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.59 6.14 -43.42 3 3 1 46 264.389 5
Hi High (pH 8-9.5) 1.59 5.74 -4.11 2 3 0 44 263.381 5

Activity (Go SEA)

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