UCSF

ZINC04317812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 28 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) 4.30 10.98 -13.11 1 5 0 53 377.488 4
Ref Reference (pH 7) 4.30 10.98 -13.22 1 5 0 53 377.488 4
Mid Mid (pH 6-8) 4.30 11.62 -39.43 2 5 1 54 378.496 4
Mid Mid (pH 6-8) 4.30 11.61 -39.44 2 5 1 54 378.496 4

Activity (Go SEA)

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