UCSF

ZINC37856272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 3.56 0.82 -41.2 1 5 -1 82 311.408 4
Hi High (pH 8-9.5) 3.56 0.87 -100.75 0 5 -2 84 310.4 4
Mid Mid (pH 6-8) 3.10 2.99 -40.74 1 5 -1 81 311.408 4
Mid Mid (pH 6-8) 3.10 2.87 -9.91 2 5 0 79 312.416 4

Activity (Go SEA)

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