UCSF

ZINC03410044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 34 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) 3.79 12.1 -19.01 2 8 0 102 457.486 8
Ref Reference (pH 7) 3.72 11.81 -28.6 1 8 0 100 457.486 9
Mid Mid (pH 6-8) 3.79 11.81 -20.29 2 8 0 102 457.486 8

Activity (Go SEA)

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