UCSF

ZINC37269544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) -0.81 3.11 -62.44 3 5 1 64 223.3 4
Hi High (pH 8-9.5) -0.81 2.78 -13.06 2 5 0 62 222.292 4
Mid Mid (pH 6-8) -0.81 3.76 -107.93 4 5 2 65 224.308 4

Activity (Go SEA)

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