UCSF

ZINC36122753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 3.07 9.13 -102.29 3 3 2 34 266.429 6
Hi High (pH 8-9.5) 3.07 7.93 -33.56 2 3 1 30 265.421 6
Mid Mid (pH 6-8) 3.07 7.01 -37.49 2 3 1 33 265.421 6

Activity (Go SEA)

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