UCSF

ZINC34928622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) -0.40 5.31 -29.29 3 7 0 104 303.318 4
Mid Mid (pH 6-8) -0.40 4.11 -56.32 2 7 -1 99 302.31 4
Lo Low (pH 4.5-6) -0.40 4.58 -58.48 3 7 0 101 303.318 4

Activity (Go SEA)

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