UCSF

ZINC31870886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 4.28 8.43 -14.36 2 6 0 90 406.53 13
Mid Mid (pH 6-8) 4.28 9.51 -58.76 3 6 1 95 407.538 13
Lo Low (pH 4.5-6) 4.28 10.59 -118.37 4 6 2 99 408.546 13

Activity (Go SEA)

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