UCSF

ZINC36722512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 1.59 4.99 -47.86 3 2 1 41 275.319 3
Mid Mid (pH 6-8) 1.59 4.66 -6.25 2 2 0 39 274.311 3

Activity (Go SEA)

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