UCSF

ZINC37267116

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) 2.80 5.86 -33.75 3 3 1 37 328.274 4
Hi High (pH 8-9.5) 2.80 4.95 -36.56 2 3 0 43 327.266 4
Mid Mid (pH 6-8) 2.80 4.24 -36.88 3 3 1 40 328.274 4

Activity (Go SEA)

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