UCSF

ZINC13735916

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 2.58 9.59 -67.72 0 7 -1 92 429.452 7
Mid Mid (pH 6-8) 3.03 8.35 -31.85 1 7 0 89 430.46 6
Mid Mid (pH 6-8) 2.00 9.56 -25.35 0 7 0 86 430.46 7
Lo Low (pH 4.5-6) 3.03 8.63 -56.71 2 7 1 90 431.468 6
Lo Low (pH 4.5-6) 2.00 9.84 -59.66 1 7 1 87 431.468 7

Activity (Go SEA)

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