UCSF

ZINC62954432

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.80 6.99 -41 3 2 1 31 247.406 3
Hi High (pH 8-9.5) 1.80 6.66 -2.54 2 2 0 29 246.398 3
Lo Low (pH 4.5-6) 1.80 7.7 -91.88 4 2 2 32 248.414 3

Activity (Go SEA)

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