UCSF

ZINC09357201

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 31 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) 3.59 9.36 -56.29 0 6 -1 79 426.464 9
Mid Mid (pH 6-8) 4.04 9.57 -13.28 1 6 0 76 427.472 8
Mid Mid (pH 6-8) 3.01 1.04 -12.05 0 6 0 72 427.472 9

Activity (Go SEA)

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