UCSF

ZINC53126019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 1.18 2.9 -36.17 3 4 1 57 243.371 5
Hi High (pH 8-9.5) 1.18 1.69 -10.2 2 4 0 53 242.363 5

Activity (Go SEA)

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