UCSF

ZINC13552686

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 5.59 12.88 -54.94 0 7 -1 100 503.581 7
Mid Mid (pH 6-8) 6.04 12.73 -19.64 1 7 0 97 504.589 6
Mid Mid (pH 6-8) 5.01 13.05 -12.98 0 7 0 94 504.589 7

Activity (Go SEA)

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