UCSF

ZINC21009423

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 5.18 -54.33 3 3 1 40 303.348 4
Hi High (pH 8-9.5) 0.90 4.35 -4.78 2 3 0 38 302.34 4
Lo Low (pH 4.5-6) 0.90 6.82 -146.45 4 3 2 41 304.356 4

Activity (Go SEA)

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