UCSF

ZINC13657686

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 2.96 8.63 -15.86 1 5 0 53 381.567 5
Hi High (pH 8-9.5) 3.64 8.29 -45.6 0 5 -1 53 380.559 4

Activity (Go SEA)

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