UCSF

ZINC36156618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 2.72 5.74 -14.08 2 6 0 82 387.505 7
Mid Mid (pH 6-8) 2.72 8.3 -49.62 3 6 1 84 388.513 7

Activity (Go SEA)

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