UCSF

ZINC70514761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.86 3.89 -29.77 3 4 1 49 283.436 7
Hi High (pH 8-9.5) 1.86 3.13 -2.75 2 4 0 45 282.428 7
Lo Low (pH 4.5-6) 1.86 4.82 -96.35 4 4 2 51 284.444 7

Activity (Go SEA)

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