UCSF

ZINC37061133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.14 7.3 -11.73 1 6 0 76 306.753 3
Lo Low (pH 4.5-6) 3.14 7.72 -42.18 2 6 1 77 307.761 3

Activity (Go SEA)

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