UCSF

ZINC33547727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 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) 3.32 10.79 -66.15 1 7 0 87 438.524 11
Hi High (pH 8-9.5) 3.32 8.56 -59.34 0 7 -1 86 437.516 11
Lo Low (pH 4.5-6) 3.32 9.97 -44.3 2 7 1 84 439.532 11

Activity (Go SEA)

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