UCSF

ZINC13657921

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 20 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) 2.61 6.25 -7.56 2 4 0 57 269.279 2
Ref Reference (pH 7) 2.44 6.12 -28.73 3 4 1 55 270.287 3
Hi High (pH 8-9.5) 3.80 5.03 -46.95 1 4 -1 64 268.271 2
Hi High (pH 8-9.5) 3.80 4.11 -40.03 1 4 -1 64 268.271 2

Activity (Go SEA)

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