UCSF

ZINC33764177

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 35 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) 5.25 9.26 -47.82 0 7 -1 93 510.353 6
Mid Mid (pH 6-8) 4.80 11.91 -11.3 1 7 0 90 511.361 6

Activity (Go SEA)

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