UCSF

ZINC34691313

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 2.00 5.34 -13.58 1 8 0 81 452.592 11
Mid Mid (pH 6-8) 2.00 7.61 -51.01 2 8 1 82 453.6 11

Activity (Go SEA)

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