UCSF

ZINC08914987

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 4.62 10.99 -54.65 0 7 -1 96 472.304 5
Mid Mid (pH 6-8) 4.04 11.32 -16.73 0 7 0 90 473.312 5
Mid Mid (pH 6-8) 5.07 10.63 -20.43 1 7 0 93 473.312 4

Activity (Go SEA)

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