UCSF

ZINC36793383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) -0.74 1.44 -24.2 2 7 0 99 279.296 4
Mid Mid (pH 6-8) -0.28 -0.69 -58.23 1 7 -1 103 278.288 4

Activity (Go SEA)

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