UCSF

ZINC04342708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 22 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) 4.04 6.62 -50.15 1 5 -1 79 299.302 6
Hi High (pH 8-9.5) 4.04 7.65 -106.31 0 5 -2 82 298.294 6
Mid Mid (pH 6-8) 2.85 1.1 -20.42 1 5 0 72 300.31 7
Mid Mid (pH 6-8) 2.85 7.72 -43.53 0 5 -1 76 299.302 7

Activity (Go SEA)

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