UCSF

ZINC33763500

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 1.59 8.29 -67.01 2 8 0 107 439.512 10
Hi High (pH 8-9.5) 1.59 5.97 -51.72 1 8 -1 106 438.504 10
Lo Low (pH 4.5-6) 1.59 6.99 -58.43 3 8 1 104 440.52 10

Activity (Go SEA)

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