UCSF

ZINC34994311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.15 8.94 -9.49 1 4 0 58 335.201 5
Mid Mid (pH 6-8) 4.15 10.05 -58.13 2 4 1 62 336.209 5

Activity (Go SEA)

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