UCSF

ZINC21009421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 0.90 5.27 -54.5 3 3 1 40 303.348 4
Hi High (pH 8-9.5) 0.90 4.98 -3.36 2 3 0 38 302.34 4
Lo Low (pH 4.5-6) 0.90 6.86 -146.74 4 3 2 41 304.356 4

Activity (Go SEA)

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