UCSF

ZINC37115462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.23 8.7 -54.93 1 4 -1 61 284.335 5
Lo Low (pH 4.5-6) 4.23 6.78 -7.67 2 4 0 59 285.343 5

Activity (Go SEA)

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