UCSF

ZINC40088003

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 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) 4.42 9.11 -7.39 1 2 0 29 267.372 4
Mid Mid (pH 6-8) 4.48 8.08 -29.69 2 2 1 34 268.38 4

Activity (Go SEA)

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