UCSF

ZINC08743766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 3.42 10.49 -59.54 0 7 -1 100 433.465 6
Mid Mid (pH 6-8) 3.87 9.98 -23.22 1 7 0 97 434.473 5
Mid Mid (pH 6-8) 2.84 10.79 -13.57 0 7 0 94 434.473 6

Activity (Go SEA)

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