UCSF

ZINC39848235

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.22 8.38 -60.01 0 10 -1 128 466.47 8
Mid Mid (pH 6-8) 2.22 10.63 -78.3 1 10 0 129 467.478 8
Lo Low (pH 4.5-6) 2.22 9.88 -65.37 2 10 1 126 468.486 8

Activity (Go SEA)

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