UCSF

ZINC09211028

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 35 Yes

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) 6.19 15.27 -11.34 0 6 0 73 468.553 8
Lo Low (pH 4.5-6) 6.19 2.72 -32.38 1 6 1 73 469.561 8

Activity (Go SEA)

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