UCSF

ZINC02275119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 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) 4.33 11.38 -42.16 1 4 1 26 359.465 8
Mid Mid (pH 6-8) 4.33 9.18 -6.36 0 4 0 25 358.457 8

Activity (Go SEA)

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