UCSF

ZINC28962515

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 29 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) 5.99 5.64 -15.88 4 6 0 111 396.439 4
Hi High (pH 8-9.5) 5.99 6.13 -42.19 3 6 -1 114 395.431 4

Activity (Go SEA)

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