UCSF

ZINC03907544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 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) 3.18 6.65 -59.58 0 6 -1 87 355.395 6
Mid Mid (pH 6-8) 3.18 7.17 -43.05 1 6 0 89 356.403 6
Lo Low (pH 4.5-6) 3.18 6.91 -15.33 1 6 0 85 356.403 6

Activity (Go SEA)

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