UCSF

ZINC37795965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.07 3.06 -56.32 2 7 -1 115 311.339 5
Hi High (pH 8-9.5) 1.07 3.14 -102.59 1 7 -2 117 310.331 5
Lo Low (pH 4.5-6) 1.07 1.07 -17.71 3 7 0 113 312.347 5

Activity (Go SEA)

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