UCSF

ZINC31959683

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.95 5.81 -57.31 4 5 1 79 334.465 7
Hi High (pH 8-9.5) 3.51 4.72 -11.91 3 5 0 80 333.457 6
Mid Mid (pH 6-8) 2.76 4.74 -45.85 3 5 0 85 333.457 7

Activity (Go SEA)

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