UCSF

ZINC36996327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.74 8.91 -31.44 2 2 1 16 259.417 4
Hi High (pH 8-9.5) 3.74 6.65 -1.72 1 2 0 15 258.409 4
Lo Low (pH 4.5-6) 3.74 9.93 -111.7 3 2 2 21 260.425 4

Activity (Go SEA)

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