UCSF

ZINC36353360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.12 2.57 -52.14 1 7 -1 99 406.319 3
Ref Reference (pH 7) 2.93 5.31 -47.23 1 7 -1 96 406.319 3
Lo Low (pH 4.5-6) 2.66 4.45 -12.27 2 7 0 96 407.327 3
Lo Low (pH 4.5-6) 2.48 7.13 -11.81 2 7 0 93 407.327 3

Activity (Go SEA)

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