UCSF

ZINC34668359

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.77 4.21 -41.73 2 7 1 66 372.493 7
Hi High (pH 8-9.5) 1.77 1.74 -8.76 1 7 0 65 371.485 7
Mid Mid (pH 6-8) 1.77 6.48 -95.89 3 7 2 67 373.501 7

Activity (Go SEA)

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