UCSF

ZINC36128271

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.74 1.63 -91.42 5 5 2 65 295.427 8
Mid Mid (pH 6-8) 0.74 -0.61 -49.01 4 5 1 64 294.419 8

Activity (Go SEA)

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