UCSF

ZINC20309006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 No

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) 3.57 7.1 -67.2 1 7 -1 93 469.945 7
Hi High (pH 8-9.5) 3.57 8.13 -127.19 0 7 -2 96 468.937 7
Mid Mid (pH 6-8) 3.57 9.43 -77.48 2 7 0 94 470.953 7

Activity (Go SEA)

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