UCSF

ZINC20171434

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 No

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) 3.50 8.53 -53.38 0 6 -1 73 502.36 7
Mid Mid (pH 6-8) 3.50 10.86 -73.34 1 6 0 74 503.368 7
Lo Low (pH 4.5-6) 3.50 10.04 -56.75 2 6 1 71 504.376 7

Activity (Go SEA)

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