UCSF

ZINC36354353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 2.17 0.14 -53.47 1 9 -1 118 380.384 4
Ref Reference (pH 7) 1.99 2.89 -48.41 1 9 -1 114 380.384 4
Lo Low (pH 4.5-6) 1.72 2.03 -13.19 2 9 0 115 381.392 4
Lo Low (pH 4.5-6) 1.53 4.7 -12.39 2 9 0 111 381.392 4

Activity (Go SEA)

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