UCSF

ZINC37300750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.07 3.71 -101.59 0 6 -2 101 361.198 4
Mid Mid (pH 6-8) 2.07 3.9 -55.67 1 6 -1 99 362.206 4

Activity (Go SEA)

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