UCSF

ZINC33813210

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.88 12.57 -65.71 1 7 0 87 519.667 11
Hi High (pH 8-9.5) 4.88 11.21 -58.15 0 7 -1 86 518.659 11
Lo Low (pH 4.5-6) 4.88 12.61 -49.86 2 7 1 84 520.675 11

Activity (Go SEA)

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