UCSF

ZINC53118064

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) 1.82 3.7 -6.13 2 4 0 59 243.347 6
Mid Mid (pH 6-8) 1.82 4.51 -33.53 3 4 1 63 244.355 6

Activity (Go SEA)

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