UCSF

ZINC08985983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.62 9.47 -60.39 0 7 -1 92 432.452 9
Mid Mid (pH 6-8) 3.04 10.4 -14.88 0 7 0 86 433.46 9
Mid Mid (pH 6-8) 4.07 9.23 -18.43 1 7 0 89 433.46 8

Activity (Go SEA)

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