UCSF

ZINC37837777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.18 4.01 -77.87 2 8 0 111 314.367 5
Mid Mid (pH 6-8) 0.18 1.81 -56.16 1 8 -1 109 313.359 5

Activity (Go SEA)

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