UCSF

ZINC34685708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 39 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) 3.76 13.09 -17.74 0 7 0 62 527.665 8
Mid Mid (pH 6-8) 3.76 15.38 -54.84 1 7 1 64 528.673 8

Activity (Go SEA)

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