UCSF

ZINC02791999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 33 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) 4.18 10.93 -50.9 1 8 -1 83 475.476 6
Mid Mid (pH 6-8) 3.46 10.84 -15.55 2 8 0 86 476.484 6
Mid Mid (pH 6-8) 4.36 11.28 -56.03 2 8 0 88 476.484 6

Activity (Go SEA)

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