UCSF

ZINC37019916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.51 1.27 -53.46 3 5 1 80 257.335 5
Hi High (pH 8-9.5) 0.51 -0.16 -15.11 2 5 0 75 256.327 5

Activity (Go SEA)

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