UCSF

ZINC19883823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 1.04 3.81 -60.97 0 8 -1 99 385.396 7
Mid Mid (pH 6-8) 1.04 6.14 -77.95 1 8 0 100 386.404 7
Lo Low (pH 4.5-6) 1.04 5.31 -53.6 2 8 1 98 387.412 7

Activity (Go SEA)

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