UCSF

ZINC42946862

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 3.11 5.28 -120.52 5 3 2 52 312.885 7
Hi High (pH 8-9.5) 3.11 5.01 -34.19 4 3 1 51 311.877 7
Hi High (pH 8-9.5) 3.11 4.26 -39.17 4 3 1 51 311.877 7

Activity (Go SEA)

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