UCSF

ZINC31932965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.93 12.01 -44.14 1 3 1 22 280.395 4
Mid Mid (pH 6-8) 3.93 10.53 -10.17 0 3 0 21 279.387 4
Lo Low (pH 4.5-6) 3.93 12.43 -89.57 2 3 2 23 281.403 4

Activity (Go SEA)

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