UCSF

ZINC34992914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.01 9.37 -109.59 3 3 2 30 345.325 8
Mid Mid (pH 6-8) 4.01 7.25 -34.21 2 3 1 29 344.317 8
Mid Mid (pH 6-8) 4.01 8.13 -29.11 2 3 1 26 344.317 8

Activity (Go SEA)

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