UCSF

ZINC31961495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 0.20 2.05 -95.22 6 6 2 86 267.377 8
Hi High (pH 8-9.5) 0.20 -0.64 -12.21 4 6 0 83 265.361 8
Mid Mid (pH 6-8) 0.20 1.66 -45.07 5 6 1 84 266.369 8

Activity (Go SEA)

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