UCSF

ZINC34935042

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 3.78 8.13 -62.12 0 8 -1 91 493.58 11
Mid Mid (pH 6-8) 3.78 10.39 -77.76 1 8 0 93 494.588 11
Lo Low (pH 4.5-6) 3.78 9.64 -58.93 2 8 1 90 495.596 11

Activity (Go SEA)

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