UCSF

ZINC31351375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 31 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) -2.81 -7.6 -158.82 10 10 3 155 448.581 18
Hi High (pH 8-9.5) -2.81 -8.28 -91.73 9 10 2 154 447.573 18
Mid Mid (pH 6-8) -2.81 -6.72 -88.83 9 10 2 158 447.573 18

Activity (Go SEA)

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