UCSF

ZINC27230691

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 26 No

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) 5.14 10.01 -41.64 0 4 -1 49 384.843 3
Mid Mid (pH 6-8) 5.14 10.43 -23.49 1 4 0 47 385.851 3

Activity (Go SEA)

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