UCSF

ZINC19509711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 0.80 0.66 -44.36 2 5 -1 87 266.277 3
Mid Mid (pH 6-8) 0.80 0.59 -11.61 3 5 0 85 267.285 3
Lo Low (pH 4.5-6) 0.80 1.04 -43.67 4 5 1 86 268.293 3

Activity (Go SEA)

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