UCSF

ZINC36382349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 31 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) 7.18 16.66 -10.41 1 3 0 29 423.947 5
Mid Mid (pH 6-8) 7.18 17.04 -29 2 3 1 31 424.955 5

Activity (Go SEA)

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