UCSF

ZINC02311392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 24 Yes

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) 1.93 4.29 -14.14 2 6 0 84 456.138 7
Hi High (pH 8-9.5) 2.06 -1.07 -8.09 2 6 0 91 456.138 7
Mid Mid (pH 6-8) 2.06 1.72 -97.5 4 6 2 94 458.154 7

Activity (Go SEA)

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