UCSF

ZINC06922362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 26 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) 5.51 8.3 -8.93 1 5 0 64 368.458 4
Mid Mid (pH 6-8) 5.02 8.13 -46.02 0 5 -1 63 367.45 5
Lo Low (pH 4.5-6) 5.02 8.53 -15.86 1 5 0 60 368.458 5

Activity (Go SEA)

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