UCSF

ZINC31959665

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) 3.24 6.12 -57.43 4 5 1 79 334.465 8
Hi High (pH 8-9.5) 3.80 5.03 -12.08 3 5 0 80 333.457 7
Mid Mid (pH 6-8) 3.05 5.05 -45.9 3 5 0 85 333.457 8

Activity (Go SEA)

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