UCSF

ZINC35280592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 1.44 6.9 -59.42 0 5 -1 64 281.376 4
Mid Mid (pH 6-8) 1.44 9.14 -75.39 1 5 0 65 282.384 4
Lo Low (pH 4.5-6) 1.44 7.13 -49.47 2 5 1 62 283.392 4

Activity (Go SEA)

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