UCSF

ZINC06739576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 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) 3.51 9.07 -64.66 0 6 -1 79 406.458 9
Mid Mid (pH 6-8) 2.93 8.7 -20.32 0 6 0 73 407.466 9
Mid Mid (pH 6-8) 3.96 7.72 -25.64 1 6 0 76 407.466 8

Activity (Go SEA)

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