UCSF

ZINC70686494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 42 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) 5.45 16.87 -48.76 2 6 1 61 555.702 4
Hi High (pH 8-9.5) 5.45 14.64 -9.81 1 6 0 60 554.694 4

Activity (Go SEA)

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