UCSF

ZINC08821776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 35 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) 6.06 9.99 -47.5 0 7 -1 81 509.991 9
Lo Low (pH 4.5-6) 6.06 10.81 -15.18 1 7 0 79 510.999 9

Activity (Go SEA)

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