UCSF

ZINC34934808

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 2.29 5.81 -63.01 0 7 -1 82 421.473 7
Mid Mid (pH 6-8) 2.29 8.09 -71.95 1 7 0 83 422.481 7

Activity (Go SEA)

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