UCSF

ZINC37113422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 2.10 6.35 -103.29 3 2 2 21 186.343 5
Hi High (pH 8-9.5) 2.10 4.86 -31.36 2 2 1 20 185.335 5
Mid Mid (pH 6-8) 2.10 5.24 -26.02 2 2 1 16 185.335 5

Activity (Go SEA)

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