UCSF

ZINC31900872

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.90 9.56 -8.73 0 2 0 18 306.312 1
Lo Low (pH 4.5-6) 3.90 10 -30.46 1 2 1 19 307.32 1

Activity (Go SEA)

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