UCSF

ZINC09159517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 35 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) 3.46 9.23 -59.32 0 8 -1 97 482.553 12
Mid Mid (pH 6-8) 3.90 8.13 -30.02 1 8 0 95 483.561 11
Mid Mid (pH 6-8) 2.88 0.53 -23.75 0 8 0 91 483.561 12

Activity (Go SEA)

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