UCSF

ZINC37081156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 0.88 4.21 -29.7 3 3 1 43 184.288 3
Hi High (pH 8-9.5) 0.88 1.71 -4.9 2 3 0 42 183.28 3

Activity (Go SEA)

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