UCSF

ZINC36613868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 34 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) 3.30 7.54 -13.47 0 7 0 72 460.509 5
Mid Mid (pH 6-8) 3.30 9.74 -61.14 1 7 1 73 461.517 5

Activity (Go SEA)

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