UCSF

ZINC26507987

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 Yes

Other Names:

MFCD11557450

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) 1.74 8.47 -70.92 0 4 -1 62 244.27 3
Mid Mid (pH 6-8) 1.74 7.39 -43.13 1 4 0 65 245.278 3

Activity (Go SEA)

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