UCSF

ZINC33627874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 39 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) 5.53 13.41 -54.83 0 8 -1 97 538.661 17
Lo Low (pH 4.5-6) 5.53 12.11 -19.55 1 8 0 95 539.669 17

Activity (Go SEA)

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