UCSF

ZINC36891650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 1.42 8.06 -59.18 2 6 1 89 267.305 8
Mid Mid (pH 6-8) 1.42 6.87 -11.25 1 6 0 84 266.297 8

Activity (Go SEA)

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