UCSF

ZINC36915606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 2.14 5.6 -29.88 2 2 1 29 211.354 4
Hi High (pH 8-9.5) 2.14 4.59 -3.91 1 2 0 25 210.346 4

Activity (Go SEA)

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