UCSF

ZINC06315672

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 28 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) 1.86 8.5 -50.53 0 6 -1 86 377.351 5
Mid Mid (pH 6-8) 1.28 8.02 -15.95 0 6 0 80 378.359 5
Mid Mid (pH 6-8) 2.31 7 -25.79 1 6 0 84 378.359 4

Activity (Go SEA)

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