UCSF

ZINC41160792

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.64 7.3 -56.6 3 3 1 48 267.437 7
Hi High (pH 8-9.5) 2.64 6.61 -7.4 2 3 0 46 266.429 7

Activity (Go SEA)

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