UCSF

ZINC13671931

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 5.41 12.55 -48.22 2 6 1 59 459.614 7
Hi High (pH 8-9.5) 5.41 10.24 -18.46 1 6 0 58 458.606 7
Mid Mid (pH 6-8) 5.41 10.5 -34.7 2 6 1 59 459.614 7

Activity (Go SEA)

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