UCSF

ZINC31961298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.74 0.43 -57.29 6 6 1 102 287.343 6
Hi High (pH 8-9.5) 0.74 0.04 -17.44 5 6 0 100 286.335 6
Mid Mid (pH 6-8) 0.74 0.89 -104.4 7 6 2 103 288.351 6

Activity (Go SEA)

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