UCSF

ZINC36192390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

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) 3.33 10.69 -48.97 2 5 1 50 375.924 8
Hi High (pH 8-9.5) 3.33 9.05 -9.12 1 5 0 48 374.916 8
Lo Low (pH 4.5-6) 3.33 11.17 -96.1 3 5 2 51 376.932 8

Activity (Go SEA)

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