UCSF

ZINC36783481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.24 6.23 -132.31 4 4 2 51 312.841 5
Hi High (pH 8-9.5) 2.24 5.78 -32.82 3 4 1 49 311.833 5
Mid Mid (pH 6-8) 2.24 4.55 -49.3 3 4 1 49 311.833 5

Activity (Go SEA)

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