UCSF

ZINC19782137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 30 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) 3.42 10.01 -45.98 1 6 1 44 407.538 8
Mid Mid (pH 6-8) 3.42 8.93 -9.85 0 6 0 43 406.53 8
Lo Low (pH 4.5-6) 3.42 11.26 -47.56 1 6 1 44 407.538 8

Activity (Go SEA)

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