UCSF

ZINC36255970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 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) 1.70 4.64 -14.53 1 7 0 65 408.587 8
Mid Mid (pH 6-8) 1.70 6.92 -51.58 2 7 1 66 409.595 8
Lo Low (pH 4.5-6) 1.70 8.76 -101.46 3 7 2 68 410.603 8

Activity (Go SEA)

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