UCSF

ZINC02502102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 34 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) 4.51 13.49 -55.7 0 7 -1 100 473.53 8
Mid Mid (pH 6-8) 4.96 0.71 -30.45 1 7 0 96 474.538 7
Mid Mid (pH 6-8) 3.93 0.94 -19.98 0 7 0 93 474.538 8

Activity (Go SEA)

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