UCSF

ZINC35651583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) -1.24 0.69 -51.32 0 8 -1 99 287.321 4
Mid Mid (pH 6-8) -1.24 3.05 -78.39 1 8 0 100 288.329 4

Activity (Go SEA)

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