UCSF

ZINC09019427

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 32 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) 4.37 10.49 -43.86 0 6 -1 79 436.528 9
Mid Mid (pH 6-8) 4.81 9.96 -22.51 1 6 0 76 437.536 8
Mid Mid (pH 6-8) 3.78 11.19 -15.81 0 6 0 73 437.536 9

Activity (Go SEA)

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