UCSF

ZINC21002230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.35 3.8 -25.28 3 7 0 108 349.346 4
Hi High (pH 8-9.5) 2.49 2.04 -61.15 2 7 -1 111 348.338 4

Activity (Go SEA)

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