UCSF

ZINC06908239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 30 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) 3.95 10.98 -59.72 0 6 -1 87 404.442 6
Mid Mid (pH 6-8) 3.36 11.68 -22.98 0 6 0 81 405.45 6
Lo Low (pH 4.5-6) 3.95 10.15 -16.21 1 6 0 84 405.45 6

Activity (Go SEA)

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