UCSF

ZINC36948277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 0.91 3.1 -51.55 0 5 -1 78 262.351 7
Mid Mid (pH 6-8) 0.91 5.21 -83.04 1 5 0 79 263.359 7
Lo Low (pH 4.5-6) 0.91 3.24 -58.57 2 5 1 76 264.367 7

Activity (Go SEA)

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