UCSF

ZINC31343411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 23 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) 4.50 7.14 -13.73 2 4 0 59 305.333 2
Hi High (pH 8-9.5) 4.50 8.03 -64.29 1 4 -1 61 304.325 2

Activity (Go SEA)

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