UCSF

ZINC37334045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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) 1.27 6.69 -31.63 1 6 0 81 237.259 6
Hi High (pH 8-9.5) 1.27 4.42 -30.07 0 6 -1 80 236.251 6
Mid Mid (pH 6-8) 1.27 7.14 -48.99 2 6 1 83 238.267 6

Activity (Go SEA)

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