UCSF

ZINC20135487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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) 4.17 11.93 -65.9 1 6 0 78 432.52 8
Hi High (pH 8-9.5) 4.17 9.6 -59.6 0 6 -1 77 431.512 8
Lo Low (pH 4.5-6) 4.17 11.12 -43.64 2 6 1 75 433.528 8

Activity (Go SEA)

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