UCSF

ZINC36771660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) -1.53 2.8 -56.09 2 6 1 70 263.321 3
Mid Mid (pH 6-8) -1.53 1.52 -12.87 1 6 0 66 262.313 3
Lo Low (pH 4.5-6) -1.53 3.27 -102.93 3 6 2 71 264.329 3

Activity (Go SEA)

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