UCSF

ZINC13881124

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 30 No

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) 4.72 10.7 -54.3 1 7 -1 104 425.486 6
Mid Mid (pH 6-8) 4.23 10.17 -98.53 0 7 -2 103 424.478 7

Activity (Go SEA)

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