UCSF

ZINC13681610

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 Yes

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) 1.20 2.07 -18.61 2 8 0 100 415.368 8
Ref Reference (pH 7) 1.57 5.34 -15.35 2 8 0 97 415.368 8
Mid Mid (pH 6-8) 1.20 2.89 -42.4 1 8 -1 103 414.36 8

Activity (Go SEA)

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