UCSF

ZINC36378438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 19 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) -1.71 -6.78 -49.57 3 9 -1 132 266.237 2
Lo Low (pH 4.5-6) -2.97 -5.68 -13.27 4 9 0 135 267.245 2

Activity (Go SEA)

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