UCSF

ZINC28768108

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) -0.48 5.3 -76.49 2 7 -1 108 360.365 4
Mid Mid (pH 6-8) -3.23 4.21 -55.24 3 7 0 111 361.373 3

Activity (Go SEA)

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