UCSF

ZINC36104774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 3.94 9.22 -34.65 1 5 0 58 362.524 4
Mid Mid (pH 6-8) 3.94 7.02 -49.38 0 5 -1 56 361.516 4
Mid Mid (pH 6-8) 3.94 6.31 -6.05 1 5 0 54 362.524 4

Activity (Go SEA)

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