UCSF

ZINC34984071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 3.12 8.64 -12.16 0 7 0 82 440.282 1
Lo Low (pH 4.5-6) 3.12 9.1 -43.52 1 7 1 83 441.29 1

Activity (Go SEA)

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