UCSF

ZINC27230680

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 28 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) 5.53 12.14 -48.03 0 4 -1 49 382.468 3
Mid Mid (pH 6-8) 5.53 12.49 -19.2 1 4 0 47 383.476 3

Activity (Go SEA)

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