UCSF

ZINC41420333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 2.16 6.07 -43.18 2 6 1 65 376.502 7
Hi High (pH 8-9.5) 2.16 3.84 -14.23 1 6 0 64 375.494 7

Activity (Go SEA)

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