UCSF

ZINC43461472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.14 7.38 -39.88 2 3 1 29 267.368 5
Hi High (pH 8-9.5) 3.14 6.08 -3.24 1 3 0 24 266.36 5

Activity (Go SEA)

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