UCSF

ZINC35895194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 4.02 9.87 -8.53 0 5 0 58 442.437 4
Ref Reference (pH 7) 4.02 9.81 -19.65 0 5 0 58 442.437 4
Mid Mid (pH 6-8) 4.02 12.11 -42.85 1 5 1 59 443.445 4

Activity (Go SEA)

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